AG00E9P3

62458-96-2 | 7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE

AG00E9P3

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CAS Number	62458-96-2
Catalog Number	AG00E9P3(AGN-PC-0NIHJU)
Chemical Name	7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE
IUPAC Name	7-benzyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
InChI	InChI=1S/C14H15N3O/c18-14-12-6-7-17(9-13(12)15-10-16-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,15,16,18)
InChI Key	NBOPLUXBZUJFHI-UHFFFAOYSA-N
MDL Number	MFCD09030048
Molecular Formula	C14H15N3O
Molecular Weight	241.2884
SMILES	O=C1C2=C(CN(CC3=CC=CC=C3)CC2)N=CN1
Synonyms	62458-96-2, 7-BENZYL-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDIN-4(3H)-ONE, 7-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ol, 7-Benzyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one, MFCD09030048, 7-benzyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one, 7-Benzyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-4-one, Pyrido[3,4-d]pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-7-(phenylmethyl)-, PubChem14674, SCHEMBL1550311, CTK5B5125, KS-00000FHS, DTXSID60487035, NBOPLUXBZUJFHI-UHFFFAOYSA-N, BCP21555, CS-D0339, ANW-48549, CB0265, FD7042, ZINC21987931, AKOS015855722, AKOS023596301, AKOS028112117, ACN-032196, GS-5833, LS40864, NE42813, RP07748, AJ-79572, AK-27557, BR-27557, CJ-17130, SC-14300, SY006784, AB0025887, AB0039243, DB-013438, 4CH-006932, FT-0645490, W7448, Y6676, AZ0001-0562, MFCD09030048 (95%), S-6332, Z-8794, Z-8795, A833782, J-519088, 7-benzyl-3H,5H,6H,8H-pyrido[3,4-d]pyrimidin-4-one, 7-benzyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one, 7-Benzyl-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-ol, 7-benzyl-5,6,7,8-tetrahydro-pyrido[3.4-d]pyrimidin-4-ol, 7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMI, 7-benzyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin4-one, 7-(phenylmethyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one, 7-Benzyl-4-hydroxy-5,6,7,8-tetrahydro-1,3,7-triazanaphthalene, 7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4 (3H)-one, 7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one, Pyrido[3,4-d]pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-7-(phenylmethyl)-, Pyrido[3,4-d]pyrimidin-4(3H)-one,5,6,7,8-tetrahydro-7-(phenylmethyl)-, C14H15N3O, 7-benzyl-5,6,7,8-tetrahydro-3h-pyrido[3,4-d]pyrimidin-4-one hydrochloride, 7-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(4aH)-one, 1053656-41-9,

Complexity	394
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.122g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	241.294g/mol
Monoisotopic Mass	241.122g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number