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897631-27-5 | 4(3H)-Quinazolinone, 6-amino-2-(methylthio)-3-(phenylmethyl)-
CAS No: 897631-27-5 Catalog No: AG00403M MDL No:
Product Description
Catalog Number:
AG00403M
Chemical Name:
4(3H)-Quinazolinone, 6-amino-2-(methylthio)-3-(phenylmethyl)-
CAS Number:
897631-27-5
Molecular Formula:
C16H15N3OS
Molecular Weight:
297.3748
IUPAC Name:
6-amino-3-benzyl-2-methylsulfanylquinazolin-4-one
InChI:
InChI=1S/C16H15N3OS/c1-21-16-18-14-8-7-12(17)9-13(14)15(20)19(16)10-11-5-3-2-4-6-11/h2-9H,10,17H2,1H3
InChI Key:
SYJFNHXVVJDRKJ-UHFFFAOYSA-N
SMILES:
CSc1nc2ccc(cc2c(=O)n1Cc1ccccc1)N
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.376g/mol
Monoisotopic Mass:
297.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Non-classical antifolates. Part 2: synthesis, biological evaluation, and molecular modeling study of some new 2,6-substituted-quinazolin-4-ones. | Bioorganic & medicinal chemistry 20100415 |
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