5-butyl-3-(3,4-dimethylphenyl)-6-oxidanylidene-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-butyl-3-(3,4-dimethylphenyl)-6-oxidanylidene-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-4-olate Openeye Name: 5-butyl-3-(3,4-dimethylphenyl)-6-oxo-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5-butyl-3-(3,4-dimethylphenyl)-6-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-pyrimidinolate IUPAC Name: 5-butyl-3-(3,4-dimethylphenyl)-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-olate Traditional Name: 5-butyl-3-(3,4-dimethylphenyl)-6-keto-2-[(2-keto-2-piperidino-ethyl)thio]pyrimidin-4-olate Formula: C23H30N3O3S- MolecularWeight: 428.5676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)SCC(=O)N2CCCCC2)C3=CC(=C(C=C3)C)C)[O-]

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCC(=O)N2CCCCC2)C3=CC(=C(C=C3)C)C)[O-]

InChI

InChI=1S/C23H31N3O3S/c1-4-5-9-19-21(28)24-23(30-15-20(27)25-12-7-6-8-13-25)26(22(19)29)18-11-10-16(2)17(3)14-18/h10-11,14,29H,4-9,12-13,15H2,1-3H3/p-1