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

Systemtic Name: 3,7-dimethyl-1-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propyl]xanthine Formula: C17H19N7O2S2 MolecularWeight: 417.50846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=C(N3C)C4=CC=CS4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=C(N3C)C4=CC=CS4

InChI

InChI=1S/C17H19N7O2S2/c1-21-10-18-14-12(21)15(25)24(17(26)23(14)3)7-5-9-28-16-20-19-13(22(16)2)11-6-4-8-27-11/h4,6,8,10H,5,7,9H2,1-3H3