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14985-77-4 | 4(1H)-Pyrimidinone, 2,3-dihydro-6-methyl-5-(2-phenyldiazenyl)-2-thioxo-
CAS No: 14985-77-4 Catalog No: AG001M2U MDL No:
Product Description
Catalog Number:
AG001M2U
Chemical Name:
4(1H)-Pyrimidinone, 2,3-dihydro-6-methyl-5-(2-phenyldiazenyl)-2-thioxo-
CAS Number:
14985-77-4
Molecular Formula:
C11H10N4OS
Molecular Weight:
246.2883
IUPAC Name:
6-methyl-5-phenyldiazenyl-2-sulfanylidene-1H-pyrimidin-4-one
InChI:
InChI=1S/C11H10N4OS/c1-7-9(10(16)13-11(17)12-7)15-14-8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13,16,17)
InChI Key:
SJJCJRUADRCNHM-UHFFFAOYSA-N
SMILES:
Cc1[nH]c(=S)[nH]c(=O)c1N=Nc1ccccc1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.288g/mol
Monoisotopic Mass:
246.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Facile synthesis of 9-substituted 9-deazapurines as potential purine nucleoside phosphorylase inhibitors. | Chemical & pharmaceutical bulletin 20020301 |
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