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180028-93-7 | 4(1H)-Pyrimidinone,6-amino-2,3-dihydro-1-(4-methoxyphenyl)-2-thioxo-
CAS No: 180028-93-7 Catalog No: AG01FMRD MDL No:MFCD06809801
Product Description
Catalog Number:
AG01FMRD
Chemical Name:
4(1H)-Pyrimidinone,6-amino-2,3-dihydro-1-(4-methoxyphenyl)-2-thioxo-
CAS Number:
180028-93-7
Molecular Formula:
C11H11N3O2S
Molecular Weight:
249.2889
MDL Number:
MFCD06809801
IUPAC Name:
6-amino-1-(4-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
InChI:
InChI=1S/C11H11N3O2S/c1-16-8-4-2-7(3-5-8)14-9(12)6-10(15)13-11(14)17/h2-6H,12H2,1H3,(H,13,15,17)
InChI Key:
VSTCCVWZTADGQN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1c(N)cc(=O)[nH]c1=S
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.288g/mol
Monoisotopic Mass:
249.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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