3-(2-methoxyphenyl)-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3OC)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3OC)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C22H18N6O2S/c1-13-6-5-7-14-18(13)22(29)28(15-8-3-4-9-16(15)30-2)17(27-14)10-31-21-19-20(24-11-23-19)25-12-26-21/h3-9,11-12H,10H2,1-2H3,(H,23,24,25,26)