sodium 1-(4-acetyloxyphenyl)-2-ethyl-6-oxidanylidene-4-(phenylmethyl)pyrimidine-5-carboxylate

Systemtic Name: sodium 1-(4-acetyloxyphenyl)-2-ethyl-6-oxidanylidene-4-(phenylmethyl)pyrimidine-5-carboxylate Openeye Name: sodium 1-(4-acetoxyphenyl)-4-benzyl-2-ethyl-6-oxo-pyrimidine-5-carboxylate CAS Name: sodium 1-(4-acetyloxyphenyl)-2-ethyl-6-oxo-4-(phenylmethyl)-5-pyrimidinecarboxylate IUPAC Name: sodium 1-(4-acetyloxyphenyl)-4-benzyl-2-ethyl-6-oxopyrimidine-5-carboxylate Traditional Name: sodium 1-(4-acetoxyphenyl)-4-benzyl-2-ethyl-6-keto-pyrimidine-5-carboxylate Formula: C22H19N2NaO5 MolecularWeight: 414.38643

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=O)N1C2=CC=C(C=C2)OC(=O)C)C(=O)[O-])CC3=CC=CC=C3.[Na+]

Isomeric SMILES

CCC1=NC(=C(C(=O)N1C2=CC=C(C=C2)OC(=O)C)C(=O)[O-])CC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C22H20N2O5.Na/c1-3-19-23-18(13-15-7-5-4-6-8-15)20(22(27)28)21(26)24(19)16-9-11-17(12-10-16)29-14(2)25;/h4-12H,3,13H2,1-2H3,(H,27,28);/q;+1/p-1