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

Systemtic Name: 3-methyl-2,4-bis(oxidanylidene)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Openeye Name: 3-methyl-2,4-dioxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile CAS Name: 3-methyl-2,4-dioxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 3-methyl-2,4-dioxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Traditional Name: 2,4-diketo-3-methyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(NC1=O)N2CCC3=CC=CC=C3CC2)C#N

Isomeric SMILES

CN1C(=O)C(=C(NC1=O)N2CCC3=CC=CC=C3CC2)C#N

InChI

InChI=1S/C16H16N4O2/c1-19-15(21)13(10-17)14(18-16(19)22)20-8-6-11-4-2-3-5-12(11)7-9-20/h2-5H,6-9H2,1H3,(H,18,22)