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Home > Pyridines > 1638250-96-0
1638250-96-0 | 7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-N-(6-phenyl-3-pyridazinyl)-
CAS No: 1638250-96-0 Catalog No: AG001UF2 MDL No:
Product Description
Catalog Number:
AG001UF2
Chemical Name:
7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-N-(6-phenyl-3-pyridazinyl)-
CAS Number:
1638250-96-0
Molecular Formula:
C19H17N7O3
Molecular Weight:
391.3834
IUPAC Name:
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide
InChI:
InChI=1S/C19H17N7O3/c1-24-17-16(18(28)25(2)19(24)29)26(11-20-17)10-15(27)21-14-9-8-13(22-23-14)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,21,23,27)
InChI Key:
QTRXIFVSTWXRJJ-UHFFFAOYSA-N
SMILES:
O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1ccc(nn1)c1ccccc1
UNII:
5L854240DQ
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.139g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
391.391g/mol
Monoisotopic Mass:
391.139g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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