AG007TEN

109229-22-3 | 6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one

AG007TEN

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CAS Number	109229-22-3
Catalog Number	AG007TEN(AGN-PC-000LIP)
Chemical Name	6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
IUPAC Name	6-benzyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
InChI	InChI=1S/C14H15N3O/c18-14-12-9-17(7-6-13(12)15-10-16-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,15,16,18)
InChI Key	PVNGDFHKRAIVTC-UHFFFAOYSA-N
MDL Number	MFCD09835497
Molecular Formula	C14H15N3O
Molecular Weight	241.2884
SMILES	O=C1C(CN(CC2=CC=CC=C2)CC3)=C3N=CN1
Synonyms	6-benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one, 109229-22-3, W-204685, 6-benzyl-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one, 6-Benzyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-ol, Pyrido[4,3-d]pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-6-(phenylmethyl)-, Pyrido[4,3-d]pyrimidin-4(3H)-one,5,6,7,8-tetrahydro-6-(phenylmethyl)-, PubChem14679, ACMC-1C6ZQ, SCHEMBL996991, CTK4A6370, DTXSID10556508, PVNGDFHKRAIVTC-UHFFFAOYSA-N, 6-Benzyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one, BCP10163, CS-D0519, ANW-48548, MFCD09835497, SC1831, ZINC30678408, AKOS015855728, AKOS025213711, AM90598, RP07747, AJ-84080, AK-27519, AN-33711, BR-27519, EN002075, SC-35712, AB0034707, DB-028102, 4CH-008175, FT-0645735, X8904, S-7243, Z-9172, Z-9178, 229B223, A801985, 6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-, I14-34135, 6-benzyl-3H,5H,7H,8H-pyrido[4,3-d]pyrimidin-4-one, 6-benzyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one, 6-(phenylmethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one, 6-Benzyl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one, 6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(1H)-one, Pyrido[4,3-d]pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-6-(phenylmethyl)-, C14H15N3O, 6-BENZYL-1H,5H,7H,8H-PYRIDO[4,3-D]PYRIMIDIN-4-ONE,

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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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