8-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1,3,7-trimethyl-xanthine Formula: C18H19N7O2S MolecularWeight: 397.45416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H19N7O2S/c1-5-12-20-21-17(25(12)11-9-7-6-8-10-11)28-16-19-14-13(22(16)2)15(26)24(4)18(27)23(14)3/h6-10H,5H2,1-4H3