2-(cyanomethylamino)-6-oxidanylidene-1-prop-2-enyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile

Systemtic Name: 2-(cyanomethylamino)-6-oxidanylidene-1-prop-2-enyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 1-allyl-2-(cyanomethylamino)-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 2-(cyanomethylamino)-6-oxo-1-prop-2-enyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 2-(cyanomethylamino)-6-oxo-1-prop-2-enyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 1-allyl-2-(cyanomethylamino)-6-keto-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C20H20N6O MolecularWeight: 360.4124

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=C(N=C1NCC#N)N2CCC3=CC=CC=C3CC2)C#N

Isomeric SMILES

C=CCN1C(=O)C(=C(N=C1NCC#N)N2CCC3=CC=CC=C3CC2)C#N

InChI

InChI=1S/C20H20N6O/c1-2-11-26-19(27)17(14-22)18(24-20(26)23-10-9-21)25-12-7-15-5-3-4-6-16(15)8-13-25/h2-6H,1,7-8,10-13H2,(H,23,24)