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

Systemtic Name: N-[5-cyano-4-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-2-yl]-2-methoxy-ethanamide Openeye Name: N-[5-cyano-4-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-2-yl]-2-methoxy-acetamide CAS Name: N-[5-cyano-4-(methylthio)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyrimidinyl]-2-methoxyacetamide IUPAC Name: N-[5-cyano-4-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-2-yl]-2-methoxyacetamide Traditional Name: N-[5-cyano-4-(methylthio)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-2-yl]-2-methoxy-acetamide Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O2S/c1-26-12-16(25)21-19-22-17(15(11-20)18(23-19)27-2)24-9-7-13-5-3-4-6-14(13)8-10-24/h3-6H,7-10,12H2,1-2H3,(H,21,22,23,25)