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

Systemtic Name: 4-(2-hydroxyethylamino)-2-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 4-(2-hydroxyethylamino)-2-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 4-(2-hydroxyethylamino)-2-(methylthio)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 4-(2-hydroxyethylamino)-2-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 4-(2-hydroxyethylamino)-2-(methylthio)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NCCO)C#N)N2CCC3=CC=CC=C3CC2

Isomeric SMILES

CSC1=NC(=C(C(=N1)NCCO)C#N)N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C18H21N5OS/c1-25-18-21-16(20-8-11-24)15(12-19)17(22-18)23-9-6-13-4-2-3-5-14(13)7-10-23/h2-5,24H,6-11H2,1H3,(H,20,21,22)