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

Systemtic Name: 8-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-(1H-benzimidazol-2-ylsulfanyl)-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-(1H-benzimidazol-2-ylthio)-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-(1H-benzimidazol-2-ylthio)-7-isoamyl-3-methyl-xanthine Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SC3=NC4=CC=CC=C4N3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SC3=NC4=CC=CC=C4N3)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H20N6O2S/c1-10(2)8-9-24-13-14(23(3)17(26)22-15(13)25)21-18(24)27-16-19-11-6-4-5-7-12(11)20-16/h4-7,10H,8-9H2,1-3H3,(H,19,20)(H,22,25,26)