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

Systemtic Name: 6-[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(3-chlorophenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(4-carbamoylanilino)-2-oxo-ethyl]-2-[(3-chlorophenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(4-carbamoylanilino)-2-oxoethyl]-2-[(3-chlorophenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(4-carbamoylanilino)-2-oxoethyl]-2-[(3-chlorophenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(4-carbamoylanilino)-2-keto-ethyl]-2-[(3-chlorobenzyl)thio]pyrimidin-4-olate Formula: C20H16ClN4O3S- MolecularWeight: 427.88404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C20H17ClN4O3S/c21-14-3-1-2-12(8-14)11-29-20-24-16(10-18(27)25-20)9-17(26)23-15-6-4-13(5-7-15)19(22)28/h1-8,10H,9,11H2,(H2,22,28)(H,23,26)(H,24,25,27)/p-1