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

Systemtic Name: 1-ethyl-2-methyl-6-oxidanylidene-4-(4,5,5-tritritio-2,4-dihydro-1H-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 1-ethyl-2-methyl-6-oxo-4-(4,5,5-tritritio-2,4-dihydro-1H-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 1-ethyl-2-methyl-6-oxo-4-(4,5,5-tritritio-2,4-dihydro-1H-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 1-ethyl-2-methyl-6-oxo-4-(4,5,5-tritritio-2,4-dihydro-1H-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 1-ethyl-6-keto-2-methyl-4-(4,5,5-tritritio-2,4-dihydro-1H-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C18H20N4O MolecularWeight: 314.401928

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=C(C1=O)C#N)N2CCC3=CC=CC=C3CC2)C

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O/c1-3-22-13(2)20-17(16(12-19)18(22)23)21-10-8-14-6-4-5-7-15(14)9-11-21/h4-7H,3,8-11H2,1-2H3/i8T2,10T