3-(4-methylphenyl)-6-oxidanylidene-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 3-(4-methylphenyl)-6-oxidanylidene-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-6-oxo-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-3-(p-tolyl)pyrimidin-4-olate CAS Name: 3-(4-methylphenyl)-6-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-3-(4-methylphenyl)-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-olate Traditional Name: 5-benzyl-6-keto-2-[(2-keto-2-piperidino-ethyl)thio]-3-(p-tolyl)pyrimidin-4-olate Formula: C25H26N3O3S- MolecularWeight: 448.55724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=O)N=C2SCC(=O)N3CCCCC3)CC4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=O)N=C2SCC(=O)N3CCCCC3)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C25H27N3O3S/c1-18-10-12-20(13-11-18)28-24(31)21(16-19-8-4-2-5-9-19)23(30)26-25(28)32-17-22(29)27-14-6-3-7-15-27/h2,4-5,8-13,31H,3,6-7,14-17H2,1H3/p-1