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Home > Pyridines > 159660-86-3
159660-86-3 | Pyrido[4,3-d]pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-3-methyl-6-(phenylmethyl)-2-thioxo-
CAS No: 159660-86-3 Catalog No: AG001RAO MDL No:
Product Description
Catalog Number:
AG001RAO
Chemical Name:
Pyrido[4,3-d]pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-3-methyl-6-(phenylmethyl)-2-thioxo-
CAS Number:
159660-86-3
Molecular Formula:
C15H17N3OS
Molecular Weight:
287.3800
IUPAC Name:
6-benzyl-3-methyl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
InChI:
InChI=1S/C15H17N3OS/c1-17-14(19)12-10-18(8-7-13(12)16-15(17)20)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,16,20)
InChI Key:
ILLBLVIXGWVCNC-UHFFFAOYSA-N
SMILES:
Cn1c(=S)[nH]c2c(c1=O)CN(CC2)Cc1ccccc1
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.109g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.381g/mol
Monoisotopic Mass:
287.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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