3-[4-(2-cyano-4-oxidanylidene-quinazolin-3-yl)butyl]-4-oxidanylidene-quinazoline-2-carbonitrile

Systemtic Name: 3-[4-(2-cyano-4-oxidanylidene-quinazolin-3-yl)butyl]-4-oxidanylidene-quinazoline-2-carbonitrile Openeye Name: 3-[4-(2-cyano-4-oxo-quinazolin-3-yl)butyl]-4-oxo-quinazoline-2-carbonitrile CAS Name: 3-[4-(2-cyano-4-oxo-3-quinazolinyl)butyl]-4-oxo-2-quinazolinecarbonitrile IUPAC Name: 3-[4-(2-cyano-4-oxoquinazolin-3-yl)butyl]-4-oxoquinazoline-2-carbonitrile Traditional Name: 3-[4-(2-cyano-4-keto-quinazolin-3-yl)butyl]-4-keto-quinazoline-2-carbonitrile Formula: C22H16N6O2 MolecularWeight: 396.40144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)C#N)CCCCN3C(=NC4=CC=CC=C4C3=O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)C#N)CCCCN3C(=NC4=CC=CC=C4C3=O)C#N

InChI

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