7-[2-(4-chlorophenyl)sulfanylethyl]-3-methyl-8-(3-methylpiperidin-1-yl)purine-2,6-dione

Systemtic Name: 7-[2-(4-chlorophenyl)sulfanylethyl]-3-methyl-8-(3-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 7-[2-(4-chlorophenyl)sulfanylethyl]-3-methyl-8-(3-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-[2-[(4-chlorophenyl)thio]ethyl]-3-methyl-8-(3-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[2-(4-chlorophenyl)sulfanylethyl]-3-methyl-8-(3-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-[2-[(4-chlorophenyl)thio]ethyl]-3-methyl-8-(3-methylpiperidino)xanthine Formula: C20H24ClN5O2S MolecularWeight: 433.95486

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=C(N2CCSC4=CC=C(C=C4)Cl)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCCN(C1)C2=NC3=C(N2CCSC4=CC=C(C=C4)Cl)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H24ClN5O2S/c1-13-4-3-9-25(12-13)19-22-17-16(18(27)23-20(28)24(17)2)26(19)10-11-29-15-7-5-14(21)6-8-15/h5-8,13H,3-4,9-12H2,1-2H3,(H,23,27,28)