2-[[3-(2-chloranylpyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]methylamino]benzenecarbonitrile

Systemtic Name: 2-[[3-(2-chloranylpyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]methylamino]benzenecarbonitrile Openeye Name: 2-[[3-(2-chloro-3-pyridyl)-4-oxo-quinazolin-2-yl]methylamino]benzonitrile CAS Name: 2-[[3-(2-chloro-3-pyridinyl)-4-oxo-2-quinazolinyl]methylamino]benzonitrile IUPAC Name: 2-[[3-(2-chloropyridin-3-yl)-4-oxoquinazolin-2-yl]methylamino]benzonitrile Traditional Name: 2-[[3-(2-chloro-3-pyridyl)-4-keto-quinazolin-2-yl]methylamino]benzonitrile Formula: C21H14ClN5O MolecularWeight: 387.82176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NCC2=NC3=CC=CC=C3C(=O)N2C4=C(N=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NCC2=NC3=CC=CC=C3C(=O)N2C4=C(N=CC=C4)Cl

InChI

InChI=1S/C21H14ClN5O/c22-20-18(10-5-11-24-20)27-19(13-25-16-8-3-1-6-14(16)12-23)26-17-9-4-2-7-15(17)21(27)28/h1-11,25H,13H2