2-[[2,6-bis(azanyl)-7H-purin-8-yl]sulfanylmethyl]-3-phenyl-quinazolin-4-one

Systemtic Name: 2-[[2,6-bis(azanyl)-7H-purin-8-yl]sulfanylmethyl]-3-phenyl-quinazolin-4-one Openeye Name: 2-[(2,6-diamino-7H-purin-8-yl)sulfanylmethyl]-3-phenyl-quinazolin-4-one CAS Name: 2-[[(2,6-diamino-7H-purin-8-yl)thio]methyl]-3-phenyl-4-quinazolinone IUPAC Name: 2-[(2,6-diamino-7H-purin-8-yl)sulfanylmethyl]-3-phenylquinazolin-4-one Traditional Name: 2-[[(2,6-diamino-7H-purin-8-yl)thio]methyl]-3-phenyl-quinazolin-4-one Formula: C20H16N8OS MolecularWeight: 416.45904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NC5=C(N4)C(=NC(=N5)N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NC5=C(N4)C(=NC(=N5)N)N

InChI

InChI=1S/C20H16N8OS/c21-16-15-17(26-19(22)25-16)27-20(24-15)30-10-14-23-13-9-5-4-8-12(13)18(29)28(14)11-6-2-1-3-7-11/h1-9H,10H2,(H5,21,22,24,25,26,27)