[5-cyano-4-oxidanylidene-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-2-yl]-methyl-cyanamide

Systemtic Name: [5-cyano-4-oxidanylidene-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-2-yl]-methyl-cyanamide Openeye Name: [5-cyano-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-2-yl]-methyl-cyanamide CAS Name: [5-cyano-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-2-yl]-methylcyanamide IUPAC Name: [5-cyano-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-2-yl]-methylcyanamide Traditional Name: [5-cyano-4-keto-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-2-yl]-methyl-cyanamide Formula: C17H16N6O MolecularWeight: 320.34854

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Descriptors Computed from Structure

Canonical SMILES:

CN(C#N)C1=NC(=O)C(=C(N1)N2CCC3=CC=CC=C3CC2)C#N

Isomeric SMILES

CN(C#N)C1=NC(=O)C(=C(N1)N2CCC3=CC=CC=C3CC2)C#N

InChI

InChI=1S/C17H16N6O/c1-22(11-19)17-20-15(14(10-18)16(24)21-17)23-8-6-12-4-2-3-5-13(12)7-9-23/h2-5H,6-9H2,1H3,(H,20,21,24)