1-(2-hydroxyethyl)-2-(2-methylsulfanylethyl)-6-oxidanylidene-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile

Systemtic Name: 1-(2-hydroxyethyl)-2-(2-methylsulfanylethyl)-6-oxidanylidene-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 1-(2-hydroxyethyl)-2-(2-methylsulfanylethyl)-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 1-(2-hydroxyethyl)-2-[2-(methylthio)ethyl]-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 1-(2-hydroxyethyl)-2-(2-methylsulfanylethyl)-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 1-(2-hydroxyethyl)-6-keto-2-[2-(methylthio)ethyl]-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1=NC(=C(C(=O)N1CCO)C#N)N2CCC3=CC=CC=C3CC2

Isomeric SMILES

CSCCC1=NC(=C(C(=O)N1CCO)C#N)N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C20H24N4O2S/c1-27-13-8-18-22-19(17(14-21)20(26)24(18)11-12-25)23-9-6-15-4-2-3-5-16(15)7-10-23/h2-5,25H,6-13H2,1H3