3,7-dimethyl-1-[3-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]propyl]xanthine Formula: C23H26N6O2S MolecularWeight: 450.55654

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=C(N3C5=CC=CC=C5)CCCC4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=C(N3C5=CC=CC=C5)CCCC4

InChI

InChI=1S/C23H26N6O2S/c1-26-15-24-20-19(26)21(30)28(23(31)27(20)2)13-8-14-32-22-25-17-11-6-7-12-18(17)29(22)16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-14H2,1-2H3