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

Systemtic Name: 3-(2,4-dimethoxyphenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-(2,4-dimethoxyphenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-(2,4-dimethoxyphenyl)-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-(2,4-dimethoxyphenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-(2,4-dimethoxyphenyl)-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N6O3S/c1-30-13-7-8-16(17(9-13)31-2)28-18(27-15-6-4-3-5-14(15)22(28)29)10-32-21-19-20(24-11-23-19)25-12-26-21/h3-9,11-12H,10H2,1-2H3,(H,23,24,25,26)