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

Systemtic Name: 1-[3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propyl]-3,7-dimethyl-xanthine Formula: C18H21N7O2S2 MolecularWeight: 431.53504

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)C4=CC=CS4

InChI

InChI=1S/C18H21N7O2S2/c1-4-24-14(12-7-5-9-28-12)20-21-17(24)29-10-6-8-25-16(26)13-15(19-11-22(13)2)23(3)18(25)27/h5,7,9,11H,4,6,8,10H2,1-3H3