3-phenyl-2-[7H-purin-6-yl(sulfanyl)methyl]quinazolin-4-one

Systemtic Name: 3-phenyl-2-[7H-purin-6-yl(sulfanyl)methyl]quinazolin-4-one Openeye Name: 3-phenyl-2-[7H-purin-6-yl(sulfanyl)methyl]quinazolin-4-one CAS Name: 2-[mercapto(7H-purin-6-yl)methyl]-3-phenyl-4-quinazolinone IUPAC Name: 3-phenyl-2-[7H-purin-6-yl(sulfanyl)methyl]quinazolin-4-one Traditional Name: 2-[mercapto(7H-purin-6-yl)methyl]-3-phenyl-quinazolin-4-one Formula: C20H14N6OS MolecularWeight: 386.42976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C4=C5C(=NC=N4)N=CN5)S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C4=C5C(=NC=N4)N=CN5)S

InChI

InChI=1S/C20H14N6OS/c27-20-13-8-4-5-9-14(13)25-19(26(20)12-6-2-1-3-7-12)17(28)15-16-18(23-10-21-15)24-11-22-16/h1-11,17,28H,(H,21,22,23,24)