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

Systemtic Name: 2-(cyanomethylamino)-4-oxidanylidene-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(cyanomethylamino)-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-(cyanomethylamino)-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(cyanomethylamino)-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(cyanomethylamino)-4-keto-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Formula: C17H16N6O MolecularWeight: 320.34854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=CC=CC=C21)C3=C(C(=O)N=C(N3)NCC#N)C#N

Isomeric SMILES

C1CN(CCC2=CC=CC=C21)C3=C(C(=O)N=C(N3)NCC#N)C#N

InChI

InChI=1S/C17H16N6O/c18-7-8-20-17-21-15(14(11-19)16(24)22-17)23-9-5-12-3-1-2-4-13(12)6-10-23/h1-4H,5-6,8-10H2,(H2,20,21,22,24)