1-(2-cyanophenyl)-3-[2-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-4-yl]urea

Systemtic Name: 1-(2-cyanophenyl)-3-[2-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-4-yl]urea Openeye Name: 1-(2-cyanophenyl)-3-[2-oxo-3-(3-pyridylmethyl)quinazolin-4-yl]urea CAS Name: 1-(2-cyanophenyl)-3-[2-oxo-3-(3-pyridinylmethyl)-4-quinazolinyl]urea IUPAC Name: 1-(2-cyanophenyl)-3-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]urea Traditional Name: 1-(2-cyanophenyl)-3-[2-keto-3-(3-pyridylmethyl)quinazolin-4-yl]urea Formula: C22H16N6O2 MolecularWeight: 396.40144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)NC2=C3C=CC=CC3=NC(=O)N2CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)NC2=C3C=CC=CC3=NC(=O)N2CC4=CN=CC=C4

InChI

InChI=1S/C22H16N6O2/c23-12-16-7-1-3-9-18(16)25-21(29)27-20-17-8-2-4-10-19(17)26-22(30)28(20)14-15-6-5-11-24-13-15/h1-11,13H,14H2,(H2,25,27,29)