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

Systemtic Name: 4-oxidanylidene-2-sulfanylidene-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-2-sulfanylidene-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-2-sulfanylidene-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-thioxo-1H-pyrimidine-5-carbonitrile Formula: C15H14N4OS MolecularWeight: 298.36286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4OS/c16-9-12-13(17-15(21)18-14(12)20)19-7-5-10-3-1-2-4-11(10)6-8-19/h1-4H,5-8H2,(H2,17,18,20,21)