1-[3-(1H-benzimidazol-2-ylsulfanyl)propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-(1H-benzimidazol-2-ylsulfanyl)propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(1H-benzimidazol-2-ylsulfanyl)propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-(1H-benzimidazol-2-ylthio)propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(1H-benzimidazol-2-ylsulfanyl)propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-(1H-benzimidazol-2-ylthio)propyl]-3,7-dimethyl-xanthine Formula: C17H18N6O2S MolecularWeight: 370.42882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H18N6O2S/c1-21-10-18-14-13(21)15(24)23(17(25)22(14)2)8-5-9-26-16-19-11-6-3-4-7-12(11)20-16/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,19,20)