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

Systemtic Name: 5-methyl-3-(2-propan-2-ylphenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-(2-isopropylphenyl)-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 5-methyl-3-(2-propan-2-ylphenyl)-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 5-methyl-3-(2-propan-2-ylphenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 5-methyl-3-o-cumenyl-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C24H22N6OS MolecularWeight: 442.53608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C(C)C)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C(C)C)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C24H22N6OS/c1-14(2)16-8-4-5-10-18(16)30-19(29-17-9-6-7-15(3)20(17)24(30)31)11-32-23-21-22(26-12-25-21)27-13-28-23/h4-10,12-14H,11H2,1-3H3,(H,25,26,27,28)