3-methyl-8-(4-methylpiperidin-1-yl)-7-(2-phenylsulfanylethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-methylpiperidin-1-yl)-7-(2-phenylsulfanylethyl)purine-2,6-dione Openeye Name: 3-methyl-8-(4-methyl-1-piperidyl)-7-(2-phenylsulfanylethyl)purine-2,6-dione CAS Name: 3-methyl-8-(4-methyl-1-piperidinyl)-7-[2-(phenylthio)ethyl]purine-2,6-dione IUPAC Name: 3-methyl-8-(4-methylpiperidin-1-yl)-7-(2-phenylsulfanylethyl)purine-2,6-dione Traditional Name: 3-methyl-8-(4-methylpiperidino)-7-[2-(phenylthio)ethyl]xanthine Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CCSC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CCSC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H25N5O2S/c1-14-8-10-24(11-9-14)19-21-17-16(18(26)22-20(27)23(17)2)25(19)12-13-28-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,22,26,27)