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

Systemtic Name: 3-(2-methoxyphenyl)-6-oxidanylidene-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-3-(2-methoxyphenyl)-6-oxo-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 3-(2-methoxyphenyl)-6-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-3-(2-methoxyphenyl)-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-(2-methoxyphenyl)pyrimidin-4-olate Formula: C25H26N3O4S- MolecularWeight: 464.55664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=C(C(=O)N=C2SCC(=O)N3CCCCC3)CC4=CC=CC=C4)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2C(=C(C(=O)N=C2SCC(=O)N3CCCCC3)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C25H27N3O4S/c1-32-21-13-7-6-12-20(21)28-24(31)19(16-18-10-4-2-5-11-18)23(30)26-25(28)33-17-22(29)27-14-8-3-9-15-27/h2,4-7,10-13,31H,3,8-9,14-17H2,1H3/p-1