4-[(6-iodanyl-4-oxidanylidene-quinazolin-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(6-iodanyl-4-oxidanylidene-quinazolin-3-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(6-iodo-4-oxo-quinazolin-3-yl)methyl]benzonitrile CAS Name: 4-[(6-iodo-4-oxo-3-quinazolinyl)methyl]benzonitrile IUPAC Name: 4-[(6-iodo-4-oxoquinazolin-3-yl)methyl]benzonitrile Traditional Name: 4-[(6-iodo-4-keto-quinazolin-3-yl)methyl]benzonitrile Formula: C16H10IN3O MolecularWeight: 387.17457

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C(C2=O)C=C(C=C3)I)C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C(C2=O)C=C(C=C3)I)C#N

InChI

InChI=1S/C16H10IN3O/c17-13-5-6-15-14(7-13)16(21)20(10-19-15)9-12-3-1-11(8-18)2-4-12/h1-7,10H,9H2