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

Systemtic Name: 5-ethyl-3-(2-methylphenyl)-6-oxidanylidene-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-4-olate Openeye Name: 5-ethyl-3-(o-tolyl)-6-oxo-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5-ethyl-3-(2-methylphenyl)-6-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-pyrimidinolate IUPAC Name: 5-ethyl-3-(2-methylphenyl)-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-olate Traditional Name: 5-ethyl-6-keto-2-[(2-keto-2-piperidino-ethyl)thio]-3-(o-tolyl)pyrimidin-4-olate Formula: C20H24N3O3S- MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC(=O)N2CCCCC2)C3=CC=CC=C3C)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC(=O)N2CCCCC2)C3=CC=CC=C3C)[O-]

InChI

InChI=1S/C20H25N3O3S/c1-3-15-18(25)21-20(27-13-17(24)22-11-7-4-8-12-22)23(19(15)26)16-10-6-5-9-14(16)2/h5-6,9-10,26H,3-4,7-8,11-13H2,1-2H3/p-1