[4-[(6-methylpyrimidin-4-yl)amino]phenyl] 6-oxidanylidene-1H-pyridazine-3-carboxylate

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 6-oxidanylidene-1H-pyridazine-3-carboxylate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 6-oxo-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-1H-pyridazine-3-carboxylic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 6-oxo-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-1H-pyridazine-3-carboxylic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)C3=NNC(=O)C=C3

Isomeric SMILES

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)C3=NNC(=O)C=C3

InChI

InChI=1S/C16H13N5O3/c1-10-8-14(18-9-17-10)19-11-2-4-12(5-3-11)24-16(23)13-6-7-15(22)21-20-13/h2-9H,1H3,(H,21,22)(H,17,18,19)