2-[(3-chlorophenyl)methylsulfanyl]-6-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(4-ethoxyanilino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 2-[(3-chlorophenyl)methylthio]-6-[2-(4-ethoxyanilino)-2-oxoethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(4-ethoxyanilino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-[(3-chlorobenzyl)thio]-6-[2-keto-2-(p-phenetidino)ethyl]pyrimidin-4-olate Formula: C21H19ClN3O3S- MolecularWeight: 428.91186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

InChI

InChI=1S/C21H20ClN3O3S/c1-2-28-18-8-6-16(7-9-18)23-19(26)11-17-12-20(27)25-21(24-17)29-13-14-4-3-5-15(22)10-14/h3-10,12H,2,11,13H2,1H3,(H,23,26)(H,24,25,27)/p-1