7-[3-(4-fluorophenyl)sulfanyl-2-methyl-propyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione

Systemtic Name: 7-[3-(4-fluorophenyl)sulfanyl-2-methyl-propyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 7-[3-(4-fluorophenyl)sulfanyl-2-methyl-propyl]-3-methyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-[3-[(4-fluorophenyl)thio]-2-methylpropyl]-3-methyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[3-(4-fluorophenyl)sulfanyl-2-methylpropyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-[3-[(4-fluorophenyl)thio]-2-methyl-propyl]-3-methyl-8-(4-methylpiperidino)xanthine Formula: C22H28FN5O2S MolecularWeight: 445.553423

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CC(C)CSC4=CC=C(C=C4)F)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CC(C)CSC4=CC=C(C=C4)F)C(=O)NC(=O)N3C

InChI

InChI=1S/C22H28FN5O2S/c1-14-8-10-27(11-9-14)21-24-19-18(20(29)25-22(30)26(19)3)28(21)12-15(2)13-31-17-6-4-16(23)5-7-17/h4-7,14-15H,8-13H2,1-3H3,(H,25,29,30)