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

Systemtic Name: 7-[2-(4-fluorophenyl)sulfanylethyl]-1,3-dimethyl-8-(3-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 7-[2-(4-fluorophenyl)sulfanylethyl]-1,3-dimethyl-8-(3-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-[2-[(4-fluorophenyl)thio]ethyl]-1,3-dimethyl-8-(3-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[2-(4-fluorophenyl)sulfanylethyl]-1,3-dimethyl-8-(3-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-[2-[(4-fluorophenyl)thio]ethyl]-1,3-dimethyl-8-(3-methylpiperidino)xanthine Formula: C21H26FN5O2S MolecularWeight: 431.526843

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=C(N2CCSC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCCN(C1)C2=NC3=C(N2CCSC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H26FN5O2S/c1-14-5-4-10-26(13-14)20-23-18-17(19(28)25(3)21(29)24(18)2)27(20)11-12-30-16-8-6-15(22)7-9-16/h6-9,14H,4-5,10-13H2,1-3H3