2-methylsulfanyl-4-(3-pyridin-2-ylpropoxy)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile

Systemtic Name: 2-methylsulfanyl-4-(3-pyridin-2-ylpropoxy)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-[3-(2-pyridyl)propoxy]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 2-(methylthio)-4-[3-(2-pyridinyl)propoxy]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 2-methylsulfanyl-4-(3-pyridin-2-ylpropoxy)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-[3-(2-pyridyl)propoxy]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C24H25N5OS MolecularWeight: 431.5532

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)OCCCC2=CC=CC=N2)C#N)N3CCC4=CC=CC=C4CC3

Isomeric SMILES

CSC1=NC(=C(C(=N1)OCCCC2=CC=CC=N2)C#N)N3CCC4=CC=CC=C4CC3

InChI

InChI=1S/C24H25N5OS/c1-31-24-27-22(29-14-11-18-7-2-3-8-19(18)12-15-29)21(17-25)23(28-24)30-16-6-10-20-9-4-5-13-26-20/h2-5,7-9,13H,6,10-12,14-16H2,1H3