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

Systemtic Name: 7-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]-1,3-dimethyl-xanthine Formula: C20H21N7O2S MolecularWeight: 423.49144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NN=C(N3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NN=C(N3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C20H21N7O2S/c1-24-17-15(18(28)25(2)20(24)29)26(12-21-17)10-11-30-19-23-22-16(13-8-9-13)27(19)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3