sodium 2-[aminocarbonyl-[2-[(4-chlorophenyl)amino]-6-oxidanylidene-1H-pyrimidin-5-yl]amino]-2-phenylazanyl-ethanoate

Systemtic Name: sodium 2-[aminocarbonyl-[2-[(4-chlorophenyl)amino]-6-oxidanylidene-1H-pyrimidin-5-yl]amino]-2-phenylazanyl-ethanoate Openeye Name: sodium 2-anilino-2-[carbamoyl-[2-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]amino]acetate CAS Name: sodium 2-anilino-2-[carbamoyl-[2-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]amino]acetate IUPAC Name: sodium 2-anilino-2-[carbamoyl-[2-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]amino]acetate Traditional Name: sodium 2-anilino-2-[carbamoyl-[2-(4-chloroanilino)-6-keto-1H-pyrimidin-5-yl]amino]acetate Formula: C19H16ClN6NaO4 MolecularWeight: 450.81091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(C(=O)[O-])N(C2=CN=C(NC2=O)NC3=CC=C(C=C3)Cl)C(=O)N.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC(C(=O)[O-])N(C2=CN=C(NC2=O)NC3=CC=C(C=C3)Cl)C(=O)N.[Na+]

InChI

InChI=1S/C19H17ClN6O4.Na/c20-11-6-8-13(9-7-11)24-19-22-10-14(16(27)25-19)26(18(21)30)15(17(28)29)23-12-4-2-1-3-5-12;/h1-10,15,23H,(H2,21,30)(H,28,29)(H2,22,24,25,27);/q;+1/p-1