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

Systemtic Name: 2-(hydroxymethyl)-4-oxidanylidene-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(hydroxymethyl)-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-(hydroxymethyl)-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(hydroxymethyl)-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-methylol-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O2/c17-9-13-15(18-14(10-21)19-16(13)22)20-7-5-11-3-1-2-4-12(11)6-8-20/h1-4,21H,5-8,10H2,(H,18,19,22)