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88617-72-5 | 4(3H)-Pyrimidinone,6-hydroxy-5-[(3-methylphenyl)amino]-2-(methylthio)-
CAS No: 88617-72-5 Catalog No: AG004ALR MDL No:
Product Description
Catalog Number:
AG004ALR
Chemical Name:
4(3H)-Pyrimidinone,6-hydroxy-5-[(3-methylphenyl)amino]-2-(methylthio)-
CAS Number:
88617-72-5
Molecular Formula:
C12H13N3O2S
Molecular Weight:
263.3155
IUPAC Name:
4-hydroxy-5-(3-methylanilino)-2-methylsulfanyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C12H13N3O2S/c1-7-4-3-5-8(6-7)13-9-10(16)14-12(18-2)15-11(9)17/h3-6,13H,1-2H3,(H2,14,15,16,17)
InChI Key:
SRRIRLNYDDYHRA-UHFFFAOYSA-N
SMILES:
CSc1nc(O)c(c(=O)[nH]1)Nc1cccc(c1)C
NSC Number:
60806
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.073g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
263.315g/mol
Monoisotopic Mass:
263.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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