3,7-dimethyl-1-[3-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylpropyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylpropyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-[1-(p-tolyl)benzimidazol-2-yl]sulfanylpropyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[[1-(4-methylphenyl)-2-benzimidazolyl]thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylpropyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-[[1-(p-tolyl)benzimidazol-2-yl]thio]propyl]xanthine Formula: C24H24N6O2S MolecularWeight: 460.55136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCCCN4C(=O)C5=C(N=CN5C)N(C4=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCCCN4C(=O)C5=C(N=CN5C)N(C4=O)C

InChI

InChI=1S/C24H24N6O2S/c1-16-9-11-17(12-10-16)30-19-8-5-4-7-18(19)26-23(30)33-14-6-13-29-22(31)20-21(25-15-27(20)2)28(3)24(29)32/h4-5,7-12,15H,6,13-14H2,1-3H3