3-butyl-8-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-8-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-7-ethyl-xanthine Formula: C17H23N7O2S MolecularWeight: 389.47522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NNC(=N3)C4CC4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NNC(=N3)C4CC4)CC

InChI

InChI=1S/C17H23N7O2S/c1-3-5-8-24-14-12(15(25)20-17(24)26)23(4-2)11(18-14)9-27-16-19-13(21-22-16)10-6-7-10/h10H,3-9H2,1-2H3,(H,19,21,22)(H,20,25,26)