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

Systemtic Name: 3-(3-methoxyphenyl)-6-oxidanylidene-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-4-olate Openeye Name: 3-(3-methoxyphenyl)-6-oxo-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 3-(3-methoxyphenyl)-6-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-pyrimidinolate IUPAC Name: 3-(3-methoxyphenyl)-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-olate Traditional Name: 6-keto-2-[(2-keto-2-piperidino-ethyl)thio]-3-(3-methoxyphenyl)pyrimidin-4-olate Formula: C18H20N3O4S- MolecularWeight: 374.4341

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=CC(=O)N=C2SCC(=O)N3CCCCC3)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=CC(=O)N=C2SCC(=O)N3CCCCC3)[O-]

InChI

InChI=1S/C18H21N3O4S/c1-25-14-7-5-6-13(10-14)21-16(23)11-15(22)19-18(21)26-12-17(24)20-8-3-2-4-9-20/h5-7,10-11,23H,2-4,8-9,12H2,1H3/p-1