ethyl 3-[[(4-oxidanylidene-3-pyridin-3-yl-quinazolin-2-yl)amino]carbamoylamino]benzoate

Systemtic Name: ethyl 3-[[(4-oxidanylidene-3-pyridin-3-yl-quinazolin-2-yl)amino]carbamoylamino]benzoate Openeye Name: ethyl 3-[[[4-oxo-3-(3-pyridyl)quinazolin-2-yl]amino]carbamoylamino]benzoate CAS Name: 3-[[oxo-[[4-oxo-3-(3-pyridinyl)-2-quinazolinyl]hydrazo]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(4-oxo-3-pyridin-3-ylquinazolin-2-yl)amino]carbamoylamino]benzoate Traditional Name: 3-[[[4-keto-3-(3-pyridyl)quinazolin-2-yl]amino]carbamoylamino]benzoic acid ethyl ester Formula: C23H20N6O4 MolecularWeight: 444.4427

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NNC2=NC3=CC=CC=C3C(=O)N2C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NNC2=NC3=CC=CC=C3C(=O)N2C4=CN=CC=C4

InChI

InChI=1S/C23H20N6O4/c1-2-33-21(31)15-7-5-8-16(13-15)25-23(32)28-27-22-26-19-11-4-3-10-18(19)20(30)29(22)17-9-6-12-24-14-17/h3-14H,2H2,1H3,(H,26,27)(H2,25,28,32)