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

Systemtic Name: 1-[3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propyl]-3,7-dimethyl-xanthine Formula: C19H21N7O2S2 MolecularWeight: 443.54574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=C(N3C4CC4)C5=CC=CS5

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=C(N3C4CC4)C5=CC=CS5

InChI

InChI=1S/C19H21N7O2S2/c1-23-11-20-16-14(23)17(27)25(19(28)24(16)2)8-4-10-30-18-22-21-15(13-5-3-9-29-13)26(18)12-6-7-12/h3,5,9,11-12H,4,6-8,10H2,1-2H3