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

Systemtic Name: 3,7-dimethyl-1-[3-(1-methylbenzimidazol-2-yl)sulfanylpropyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(1-methylbenzimidazol-2-yl)sulfanylpropyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[(1-methyl-2-benzimidazolyl)thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(1-methylbenzimidazol-2-yl)sulfanylpropyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-[(1-methylbenzimidazol-2-yl)thio]propyl]xanthine Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=CC=CC=C4N3C

InChI

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