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

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanylmethyl]-3-phenyl-quinazolin-4-one Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanylmethyl]-3-phenyl-quinazolin-4-one CAS Name: 2-[[(6-amino-7H-purin-8-yl)thio]methyl]-3-phenyl-4-quinazolinone IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanylmethyl]-3-phenylquinazolin-4-one Traditional Name: 2-[[(6-amino-7H-purin-8-yl)thio]methyl]-3-phenyl-quinazolin-4-one Formula: C20H15N7OS MolecularWeight: 401.4444

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N7OS/c21-17-16-18(23-11-22-17)26-20(25-16)29-10-15-24-14-9-5-4-8-13(14)19(28)27(15)12-6-2-1-3-7-12/h1-9,11H,10H2,(H3,21,22,23,25,26)