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

Systemtic Name: 6-[2-[(2-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(3-chlorophenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(2-carbamoylanilino)-2-oxo-ethyl]-2-[(3-chlorophenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(2-carbamoylanilino)-2-oxoethyl]-2-[(3-chlorophenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(2-carbamoylanilino)-2-oxoethyl]-2-[(3-chlorophenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(2-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=C(C(=C1)C(=O)N)NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

Isomeric SMILES

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

InChI

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