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

Systemtic Name: 3-butyl-8-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-[[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-[[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-xanthine Formula: C20H23N7O2S2 MolecularWeight: 457.57232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(N3C4CC4)C5=CC=CS5)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(N3C4CC4)C5=CC=CS5)C

InChI

InChI=1S/C20H23N7O2S2/c1-3-4-9-26-17-15(18(28)22-19(26)29)25(2)14(21-17)11-31-20-24-23-16(13-6-5-10-30-13)27(20)12-7-8-12/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,22,28,29)