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

Systemtic Name: 8-(2,3-dihydro-1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-nonyl-purine-2,6-dione Openeye Name: 8-(2,3-dihydro-1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 8-(2,3-dihydro-1H-benzimidazol-2-ylthio)-3-methyl-7-nonylpurine-2,6-dione IUPAC Name: 8-(2,3-dihydro-1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-(2,3-dihydro-1H-benzimidazol-2-ylthio)-3-methyl-7-nonyl-xanthine Formula: C22H30N6O2S MolecularWeight: 442.5776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SC3NC4=CC=CC=C4N3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SC3NC4=CC=CC=C4N3)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H30N6O2S/c1-3-4-5-6-7-8-11-14-28-17-18(27(2)21(30)26-19(17)29)25-22(28)31-20-23-15-12-9-10-13-16(15)24-20/h9-10,12-13,20,23-24H,3-8,11,14H2,1-2H3,(H,26,29,30)