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

Systemtic Name: 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(3-phenylsulfanylpropyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethyl-1-piperidyl)-3-methyl-7-(3-phenylsulfanylpropyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-piperidinyl)-3-methyl-7-[3-(phenylthio)propyl]purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(3-phenylsulfanylpropyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpiperidino)-3-methyl-7-[3-(phenylthio)propyl]xanthine Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=C(N2CCCSC4=CC=CC=C4)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1CC(CN(C1)C2=NC3=C(N2CCCSC4=CC=CC=C4)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C22H29N5O2S/c1-15-12-16(2)14-26(13-15)21-23-19-18(20(28)24-22(29)25(19)3)27(21)10-7-11-30-17-8-5-4-6-9-17/h4-6,8-9,15-16H,7,10-14H2,1-3H3,(H,24,28,29)