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

Systemtic Name: 5-methyl-3-(2-methylcyclohexyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 5-methyl-3-(2-methylcyclohexyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 5-methyl-3-(2-methylcyclohexyl)-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 5-methyl-3-(2-methylcyclohexyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 5-methyl-3-(2-methylcyclohexyl)-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C22H24N6OS MolecularWeight: 420.53056

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=NC3=CC=CC(=C3C2=O)C)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1CCCCC1N2C(=NC3=CC=CC(=C3C2=O)C)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C22H24N6OS/c1-13-6-3-4-9-16(13)28-17(27-15-8-5-7-14(2)18(15)22(28)29)10-30-21-19-20(24-11-23-19)25-12-26-21/h5,7-8,11-13,16H,3-4,6,9-10H2,1-2H3,(H,23,24,25,26)