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

Systemtic Name: 2-methyl-4-oxidanylidene-6-(4,5,5-tritritio-2,4-dihydro-1H-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Openeye Name: 2-methyl-4-oxo-6-(4,5,5-tritritio-2,4-dihydro-1H-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-methyl-4-oxo-6-(4,5,5-tritritio-2,4-dihydro-1H-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-methyl-4-oxo-6-(4,5,5-tritritio-2,4-dihydro-1H-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-methyl-6-(4,5,5-tritritio-2,4-dihydro-1H-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Formula: C16H16N4O MolecularWeight: 286.348768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)N2CCC3=CC=CC=C3CC2)C#N

Isomeric SMILES

[3H]C1C(C2=CC=CC=C2CCN1C3=C(C(=O)N=C(N3)C)C#N)([3H])[3H]

InChI

InChI=1S/C16H16N4O/c1-11-18-15(14(10-17)16(21)19-11)20-8-6-12-4-2-3-5-13(12)7-9-20/h2-5H,6-9H2,1H3,(H,18,19,21)/i6T2,8T