1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpurine-2,6-dione Traditional Name: 8-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-1,3-dimethyl-7-(4-methylbenzyl)xanthine Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=C(N2CC4=CC=C(C=C4)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=C(N2CC4=CC=C(C=C4)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C23H29N5O3S/c1-15-5-7-17(8-6-15)13-28-19-20(25(3)23(31)26(4)21(19)30)24-22(28)32-14-18(29)27-11-9-16(2)10-12-27/h5-8,16H,9-14H2,1-4H3