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

Systemtic Name: 3-cyclohexyl-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-cyclohexyl-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-cyclohexyl-5-methyl-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-cyclohexyl-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-cyclohexyl-5-methyl-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3CCCCC3)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3CCCCC3)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C21H22N6OS/c1-13-6-5-9-15-17(13)21(28)27(14-7-3-2-4-8-14)16(26-15)10-29-20-18-19(23-11-22-18)24-12-25-20/h5-6,9,11-12,14H,2-4,7-8,10H2,1H3,(H,22,23,24,25)