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

Systemtic Name: 6-[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(4-carbamoylanilino)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(4-carbamoylanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(4-carbamoylanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(4-carbamoylanilino)-2-keto-ethyl]-2-(m-anisylthio)pyrimidin-4-olate Formula: C21H19N4O4S- MolecularWeight: 423.46496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H20N4O4S/c1-29-17-4-2-3-13(9-17)12-30-21-24-16(11-19(27)25-21)10-18(26)23-15-7-5-14(6-8-15)20(22)28/h2-9,11H,10,12H2,1H3,(H2,22,28)(H,23,26)(H,24,25,27)/p-1