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67140-12-9 | 6-benzyl-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one
CAS No: 67140-12-9 Catalog No: AG00VTJG MDL No:MFCD11899437
Product Description
Catalog Number:
AG00VTJG
Chemical Name:
6-benzyl-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one
CAS Number:
67140-12-9
Molecular Formula:
C14H15N3OS
Molecular Weight:
273.3534
MDL Number:
MFCD11899437
IUPAC Name:
6-benzyl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
InChI:
InChI=1S/C14H15N3OS/c18-13-11-9-17(8-10-4-2-1-3-5-10)7-6-12(11)15-14(19)16-13/h1-5H,6-9H2,(H2,15,16,18,19)
InChI Key:
BDKPZGLDSARQCP-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=S)[nH]c2c1CN(CC2)Cc1ccccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.354g/mol
Monoisotopic Mass:
273.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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