AG00BYHT

39929-79-8 | 7H-Pyrrolo[2,3-d]pyrimidine-2,4-diol

AG00BYHT

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CAS Number	39929-79-8
Catalog Number	AG00BYHT(AGN-PC-00GT5C)
Chemical Name	7H-Pyrrolo[2,3-d]pyrimidine-2,4-diol
EC Number	609-755-6
IUPAC Name	1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
InChI	InChI=1S/C6H5N3O2/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)
InChI Key	HASUWNAFLUMMFI-UHFFFAOYSA-N
MDL Number	MFCD03092515
Molecular Formula	C6H5N3O2
Molecular Weight	151.1228
SMILES	O=C1NC(NC=C2)=C2C(N1)=O
Synonyms	7-deazaxanthine, 7-DX xanthine, 7H-pyrrolo[2,3-d]pyrimidine-2,4-diol, 39929-79-8, 7-Deazaxanthine, 2,4-Dihydroxypyrrolo[2,3-d]Pyrimidine, 1,7-Dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione, 1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione, 2,4-Dihydroxy-7H-pyrrolo[2,3-d]pyrimidine, CHEMBL122899, 2,4-hydroxy-7H-pyrrolo-(2,3-d)pyrimidine, 1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione, W-202644, pyrrolo[2,3-d]pyrimidine-2,4-diol, DEAZAXANTHINE, PubChem23154, AC1Q79BQ, KSC222C8F, 2,4-Dihydroxy-7-deazapurine, 2,6-Dihydroxy-7-deazapurine, SCHEMBL1014230, SCHEMBL6224078, SCHEMBL9213933, 4,6-Dihydroxy pyrrolopyrimidine, Jsp006915, CTK1C2182, DTXSID90473683, HASUWNAFLUMMFI-UHFFFAOYSA-N, ACN-S003207, ACT09675, BCP23098, CS-D0916, KS-000010DI, ZX-AT018822, ANW-48642, BDBM50134399, CP-393, CP0057, MFCD03092515, OR3109, SBB056348, ZINC13516897, AKOS006335387, AKOS015856430, AKOS015902187, AKOS022177910, AB13136, AC-3216, AN-2397, FCH2258273, HP21905, MCULE-4911837117, RP21438, RTR-015929, AJ-64020, AK-31969, BC225298, BR-31969, EN000056, SC-21198, SY004934, TS-00061, AB0000665, AB1000289, AX8028614, DB-013242, ST2419055, TR-015929, 2,4-Dihydroxy-1H-pyrrolo[2,3-d]pyrimidine, 4CH-001527, AM20100055, FT-0084053, FT-0660148, ST50950117, X7289, S-1100, Z-8110, 1H-PYRROLO[2,3-D]PYRIMIDINE-2,4-DIOL, 929P798, A835297, 1H-Pyrrolo[2,3-d]pyrimidine-2,4-(3H,7H)-dione, I14-4554, I14-13447, null, C6H5N3O2, ACN-025894, CID11819216, C2062, 2,4,9-triazabicyclo[4.3.0]nona-7,10-diene-3,5-dione, 65996-50-1,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.038g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	151.125g/mol
Monoisotopic Mass	151.038g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	74A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

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