1-[3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[[1-(4-methoxyphenyl)benzimidazol-2-yl]thio]propyl]-3,7-dimethyl-xanthine Formula: C24H24N6O3S MolecularWeight: 476.55076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=CC=CC=C4N3C5=CC=C(C=C5)OC

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=CC=CC=C4N3C5=CC=C(C=C5)OC

InChI

InChI=1S/C24H24N6O3S/c1-27-15-25-21-20(27)22(31)29(24(32)28(21)2)13-6-14-34-23-26-18-7-4-5-8-19(18)30(23)16-9-11-17(33-3)12-10-16/h4-5,7-12,15H,6,13-14H2,1-3H3