3-[[6,8-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[6,8-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]methyl]benzenecarbonitrile Openeye Name: 3-[(6,8-dichloro-4-oxo-quinazolin-3-yl)methyl]benzonitrile CAS Name: 3-[(6,8-dichloro-4-oxo-3-quinazolinyl)methyl]benzonitrile IUPAC Name: 3-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]benzonitrile Traditional Name: 3-[(6,8-dichloro-4-keto-quinazolin-3-yl)methyl]benzonitrile Formula: C16H9Cl2N3O MolecularWeight: 330.16816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=NC3=C(C=C(C=C3C2=O)Cl)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=NC3=C(C=C(C=C3C2=O)Cl)Cl)C#N

InChI

InChI=1S/C16H9Cl2N3O/c17-12-5-13-15(14(18)6-12)20-9-21(16(13)22)8-11-3-1-2-10(4-11)7-19/h1-6,9H,8H2