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

Systemtic Name: 1-[3-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(4-ethyl-1,2,4-triazol-3-yl)thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(4-ethyl-1,2,4-triazol-3-yl)thio]propyl]-3,7-dimethyl-xanthine Formula: C14H19N7O2S MolecularWeight: 349.41136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N7O2S/c1-4-20-9-16-17-13(20)24-7-5-6-21-12(22)10-11(15-8-18(10)2)19(3)14(21)23/h8-9H,4-7H2,1-3H3