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

Systemtic Name: 1-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propyl]-3,7-dimethyl-xanthine Formula: C21H23N7O2S MolecularWeight: 437.51802

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=C(N3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=C(N3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C21H23N7O2S/c1-25-13-22-18-16(25)19(29)27(21(30)26(18)2)11-6-12-31-20-24-23-17(14-9-10-14)28(20)15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3