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

Systemtic Name: 1-[3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propyl]-3,7-dimethyl-xanthine Formula: C19H22N8O2S MolecularWeight: 426.49538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N8O2S/c1-4-26-15(13-6-8-20-9-7-13)22-23-18(26)30-11-5-10-27-17(28)14-16(21-12-24(14)2)25(3)19(27)29/h6-9,12H,4-5,10-11H2,1-3H3