5-ethyl-3-(4-methylphenyl)-6-oxidanylidene-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-ethyl-3-(4-methylphenyl)-6-oxidanylidene-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-pyrimidin-4-olate Openeye Name: 2-(2-anilino-2-oxo-ethyl)sulfanyl-5-ethyl-6-oxo-3-(p-tolyl)pyrimidin-4-olate CAS Name: 2-[(2-anilino-2-oxoethyl)thio]-5-ethyl-3-(4-methylphenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-(2-anilino-2-oxoethyl)sulfanyl-5-ethyl-3-(4-methylphenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[(2-anilino-2-keto-ethyl)thio]-5-ethyl-6-keto-3-(p-tolyl)pyrimidin-4-olate Formula: C21H20N3O3S- MolecularWeight: 394.4668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)C)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)C)[O-]

InChI

InChI=1S/C21H21N3O3S/c1-3-17-19(26)23-21(24(20(17)27)16-11-9-14(2)10-12-16)28-13-18(25)22-15-7-5-4-6-8-15/h4-12,27H,3,13H2,1-2H3,(H,22,25)/p-1