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162279-51-8 | 4(1H)-Pyrimidinone, 6-amino-1-[[3-(cyclopentyloxy)-4-methoxyphenyl]methyl]-2,3-dihydro-2-thioxo-
CAS No: 162279-51-8 Catalog No: AG001SXG MDL No:MFCD03844693
Product Description
Catalog Number:
AG001SXG
Chemical Name:
4(1H)-Pyrimidinone, 6-amino-1-[[3-(cyclopentyloxy)-4-methoxyphenyl]methyl]-2,3-dihydro-2-thioxo-
CAS Number:
162279-51-8
Molecular Formula:
C17H21N3O3S
Molecular Weight:
347.4319
MDL Number:
MFCD03844693
IUPAC Name:
6-amino-1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-sulfanylidenepyrimidin-4-one
InChI:
InChI=1S/C17H21N3O3S/c1-22-13-7-6-11(8-14(13)23-12-4-2-3-5-12)10-20-15(18)9-16(21)19-17(20)24/h6-9,12H,2-5,10,18H2,1H3,(H,19,21,24)
InChI Key:
WLUTVXPVNSUNPN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC1CCCC1)Cn1c(N)cc(=O)[nH]c1=S
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.13g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
347.433g/mol
Monoisotopic Mass:
347.13g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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