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

Systemtic Name: 5-methoxy-3-(phenylmethyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-5-methoxy-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 5-methoxy-3-(phenylmethyl)-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-benzyl-5-methoxy-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-benzyl-5-methoxy-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C22H18N6O2S MolecularWeight: 430.48232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)N(C(=N2)CSC3=NC=NC4=C3NC=N4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC2=C1C(=O)N(C(=N2)CSC3=NC=NC4=C3NC=N4)CC5=CC=CC=C5

InChI

InChI=1S/C22H18N6O2S/c1-30-16-9-5-8-15-18(16)22(29)28(10-14-6-3-2-4-7-14)17(27-15)11-31-21-19-20(24-12-23-19)25-13-26-21/h2-9,12-13H,10-11H2,1H3,(H,23,24,25,26)