8-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 8-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-(1H-benzimidazol-2-ylthio)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-(1H-benzimidazol-2-ylthio)-3-methyl-7-(2-methylallyl)xanthine Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SC3=NC4=CC=CC=C4N3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SC3=NC4=CC=CC=C4N3)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H16N6O2S/c1-9(2)8-23-12-13(22(3)16(25)21-14(12)24)20-17(23)26-15-18-10-6-4-5-7-11(10)19-15/h4-7H,1,8H2,2-3H3,(H,18,19)(H,21,24,25)