2-azanyl-3-(2-chloranylpyridin-3-yl)-4-oxidanylidene-3-(quinazolin-2-ylmethyl)cyclohexa-1,5-diene-1-carbonitrile

Systemtic Name: 2-azanyl-3-(2-chloranylpyridin-3-yl)-4-oxidanylidene-3-(quinazolin-2-ylmethyl)cyclohexa-1,5-diene-1-carbonitrile Openeye Name: 2-amino-3-(2-chloro-3-pyridyl)-4-oxo-3-(quinazolin-2-ylmethyl)cyclohexa-1,5-diene-1-carbonitrile CAS Name: 2-amino-3-(2-chloro-3-pyridinyl)-4-oxo-3-(2-quinazolinylmethyl)-1-cyclohexa-1,5-dienecarbonitrile IUPAC Name: 2-amino-3-(2-chloropyridin-3-yl)-4-oxo-3-(quinazolin-2-ylmethyl)cyclohexa-1,5-diene-1-carbonitrile Traditional Name: 2-amino-3-(2-chloro-3-pyridyl)-4-keto-3-(quinazolin-2-ylmethyl)cyclohexa-1,5-diene-1-carbonitrile Formula: C21H14ClN5O MolecularWeight: 387.82176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC(=N2)CC3(C(=O)C=CC(=C3N)C#N)C4=C(N=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=NC(=N2)CC3(C(=O)C=CC(=C3N)C#N)C4=C(N=CC=C4)Cl

InChI

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