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

Systemtic Name: 1,3-dimethyl-8-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpurine-2,6-dione Traditional Name: 7-benzyl-8-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-1,3-dimethyl-xanthine Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O3S/c1-15-9-11-26(12-10-15)17(28)14-31-21-23-19-18(20(29)25(3)22(30)24(19)2)27(21)13-16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3