N-[5-cyano-4-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-2-yl]ethanamide

Systemtic Name: N-[5-cyano-4-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-2-yl]ethanamide Openeye Name: N-[5-cyano-4-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-2-yl]acetamide CAS Name: N-[5-cyano-4-(methylthio)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyrimidinyl]acetamide IUPAC Name: N-[5-cyano-4-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-2-yl]acetamide Traditional Name: N-[5-cyano-4-(methylthio)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-2-yl]acetamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=C(C(=N1)SC)C#N)N2CCC3=CC=CC=C3CC2

Isomeric SMILES

CC(=O)NC1=NC(=C(C(=N1)SC)C#N)N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C18H19N5OS/c1-12(24)20-18-21-16(15(11-19)17(22-18)25-2)23-9-7-13-5-3-4-6-14(13)8-10-23/h3-6H,7-10H2,1-2H3,(H,20,21,22,24)