5-ethyl-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate

Systemtic Name: 5-ethyl-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate Openeye Name: 5-ethyl-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 5-ethyl-2-[[2-(4-methylanilino)-2-oxoethyl]thio]-6-oxo-3-phenyl-4-pyrimidinolate IUPAC Name: 5-ethyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-3-phenylpyrimidin-4-olate Traditional Name: 5-ethyl-6-keto-2-[[2-keto-2-(p-toluidino)ethyl]thio]-3-phenyl-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=C(C=C2)C)C3=CC=CC=C3)[O-]

Isomeric SMILES

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

InChI

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