8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-phenylsulfanylethyl)purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-phenylsulfanylethyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethyl-1-piperidyl)-3-methyl-7-(2-phenylsulfanylethyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-piperidinyl)-3-methyl-7-[2-(phenylthio)ethyl]purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-phenylsulfanylethyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpiperidino)-3-methyl-7-[2-(phenylthio)ethyl]xanthine Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=C(N2CCSC4=CC=CC=C4)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1CC(CN(C1)C2=NC3=C(N2CCSC4=CC=CC=C4)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C21H27N5O2S/c1-14-11-15(2)13-25(12-14)20-22-18-17(19(27)23-21(28)24(18)3)26(20)9-10-29-16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,23,27,28)