sodium 2-[[2-(2-methylpropoxy)phenyl]amino]-6-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: sodium 2-[[2-(2-methylpropoxy)phenyl]amino]-6-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: sodium 2-(2-isobutoxyanilino)-6-oxo-1H-pyrimidine-5-carboxylate CAS Name: sodium 2-[2-(2-methylpropoxy)anilino]-6-oxo-1H-pyrimidine-5-carboxylate IUPAC Name: sodium 2-[2-(2-methylpropoxy)anilino]-6-oxo-1H-pyrimidine-5-carboxylate Traditional Name: sodium 2-(2-isobutoxyanilino)-6-keto-1H-pyrimidine-5-carboxylate Formula: C15H16N3NaO4 MolecularWeight: 325.29501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC=C1NC2=NC=C(C(=O)N2)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)COC1=CC=CC=C1NC2=NC=C(C(=O)N2)C(=O)[O-].[Na+]

InChI

InChI=1S/C15H17N3O4.Na/c1-9(2)8-22-12-6-4-3-5-11(12)17-15-16-7-10(14(20)21)13(19)18-15;/h3-7,9H,8H2,1-2H3,(H,20,21)(H2,16,17,18,19);/q;+1/p-1