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

Systemtic Name: 4-azanyl-2-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 4-amino-2-(methylthio)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-(methylthio)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C16H17N5S MolecularWeight: 311.40468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5S/c1-22-16-19-14(18)13(10-17)15(20-16)21-8-6-11-4-2-3-5-12(11)7-9-21/h2-5H,6-9H2,1H3,(H2,18,19,20)