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

Systemtic Name: 3-(3-methoxyphenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-(3-methoxyphenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-(3-methoxyphenyl)-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C21H16N6O2S MolecularWeight: 416.45574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C21H16N6O2S/c1-29-14-6-4-5-13(9-14)27-17(26-16-8-3-2-7-15(16)21(27)28)10-30-20-18-19(23-11-22-18)24-12-25-20/h2-9,11-12H,10H2,1H3,(H,22,23,24,25)