6-(2,4-dimethylphenyl)-2-methylsulfanyl-7H-purine-8-carbonitrile

Systemtic Name: 6-(2,4-dimethylphenyl)-2-methylsulfanyl-7H-purine-8-carbonitrile Openeye Name: 6-(2,4-dimethylphenyl)-2-methylsulfanyl-7H-purine-8-carbonitrile CAS Name: 6-(2,4-dimethylphenyl)-2-(methylthio)-7H-purine-8-carbonitrile IUPAC Name: 6-(2,4-dimethylphenyl)-2-methylsulfanyl-7H-purine-8-carbonitrile Traditional Name: 6-(2,4-dimethylphenyl)-2-(methylthio)-7H-purine-8-carbonitrile Formula: C15H13N5S MolecularWeight: 295.36222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C3C(=NC(=N2)SC)N=C(N3)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C3C(=NC(=N2)SC)N=C(N3)C#N)C

InChI

InChI=1S/C15H13N5S/c1-8-4-5-10(9(2)6-8)12-13-14(18-11(7-16)17-13)20-15(19-12)21-3/h4-6H,1-3H3,(H,17,18,19,20)