4-chloranyl-2-methylsulfonyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile

Systemtic Name: 4-chloranyl-2-methylsulfonyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 4-chloro-2-methylsulfonyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 4-chloro-2-methylsulfonyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 4-chloro-2-methylsulfonyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 4-chloro-2-mesyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C16H15ClN4O2S MolecularWeight: 362.8339

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=C(C(=N1)Cl)C#N)N2CCC3=CC=CC=C3CC2

Isomeric SMILES

CS(=O)(=O)C1=NC(=C(C(=N1)Cl)C#N)N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C16H15ClN4O2S/c1-24(22,23)16-19-14(17)13(10-18)15(20-16)21-8-6-11-4-2-3-5-12(11)7-9-21/h2-5H,6-9H2,1H3