2-methylsulfanyl-4-[2-(2-oxidanylidenepyrrolidin-1-yl)ethoxy]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile

Systemtic Name: 2-methylsulfanyl-4-[2-(2-oxidanylidenepyrrolidin-1-yl)ethoxy]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 2-(methylthio)-4-[2-(2-oxo-1-pyrrolidinyl)ethoxy]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 2-methylsulfanyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 4-[2-(2-ketopyrrolidino)ethoxy]-2-(methylthio)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)OCCN2CCCC2=O)C#N)N3CCC4=CC=CC=C4CC3

Isomeric SMILES

CSC1=NC(=C(C(=N1)OCCN2CCCC2=O)C#N)N3CCC4=CC=CC=C4CC3

InChI

InChI=1S/C22H25N5O2S/c1-30-22-24-20(27-11-8-16-5-2-3-6-17(16)9-12-27)18(15-23)21(25-22)29-14-13-26-10-4-7-19(26)28/h2-3,5-6H,4,7-14H2,1H3