3-(phenylmethyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one

Systemtic Name: 3-(phenylmethyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-(phenylmethyl)-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-benzyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-benzyl-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C21H16N6OS MolecularWeight: 400.45634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC3=CC=CC=C3C2=O)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC3=CC=CC=C3C2=O)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C21H16N6OS/c28-21-15-8-4-5-9-16(15)26-17(27(21)10-14-6-2-1-3-7-14)11-29-20-18-19(23-12-22-18)24-13-25-20/h1-9,12-13H,10-11H2,(H,22,23,24,25)