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

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 6-oxidanylidene-1H-pyridazine-3-carboxylate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 6-oxo-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-1H-pyridazine-3-carboxylic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 6-oxo-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-1H-pyridazine-3-carboxylic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C21H15N5O3 MolecularWeight: 385.3755

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)C4=NNC(=O)C=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)C4=NNC(=O)C=C4

InChI

InChI=1S/C21H15N5O3/c27-20-11-10-17(25-26-20)21(28)29-16-8-6-15(7-9-16)24-19-12-18(22-13-23-19)14-4-2-1-3-5-14/h1-13H,(H,26,27)(H,22,23,24)