5-butyl-1-(2-methylphenyl)-6-oxidanyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-4-one

Systemtic Name: 5-butyl-1-(2-methylphenyl)-6-oxidanyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-4-one Openeye Name: 5-butyl-6-hydroxy-1-(o-tolyl)-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimidin-4-one CAS Name: 5-butyl-6-hydroxy-1-(2-methylphenyl)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-pyrimidinone IUPAC Name: 5-butyl-6-hydroxy-1-(2-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one Traditional Name: 5-butyl-6-hydroxy-2-[(2-keto-2-piperidino-ethyl)thio]-1-(o-tolyl)pyrimidin-4-one Formula: C22H29N3O3S MolecularWeight: 415.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)SCC(=O)N2CCCCC2)C3=CC=CC=C3C)O

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCC(=O)N2CCCCC2)C3=CC=CC=C3C)O

InChI

InChI=1S/C22H29N3O3S/c1-3-4-11-17-20(27)23-22(29-15-19(26)24-13-8-5-9-14-24)25(21(17)28)18-12-7-6-10-16(18)2/h6-7,10,12,28H,3-5,8-9,11,13-15H2,1-2H3