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

Systemtic Name: N-[5-cyano-4-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-2-yl]-3-methyl-butanamide Openeye Name: N-[5-cyano-4-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-2-yl]-3-methyl-butanamide CAS Name: N-[5-cyano-4-(methylthio)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyrimidinyl]-3-methylbutanamide IUPAC Name: N-[5-cyano-4-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-2-yl]-3-methylbutanamide Traditional Name: N-[5-cyano-4-(methylthio)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-2-yl]-3-methyl-butyramide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5OS/c1-14(2)12-18(27)23-21-24-19(17(13-22)20(25-21)28-3)26-10-8-15-6-4-5-7-16(15)9-11-26/h4-7,14H,8-12H2,1-3H3,(H,23,24,25,27)