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

Systemtic Name: 4-diazanyl-2-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 4-hydrazino-2-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 4-hydrazinyl-2-(methylthio)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 4-hydrazinyl-2-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 4-hydrazino-2-(methylthio)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C16H18N6S MolecularWeight: 326.41932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6S/c1-23-16-19-14(21-18)13(10-17)15(20-16)22-8-6-11-4-2-3-5-12(11)7-9-22/h2-5H,6-9,18H2,1H3,(H,19,20,21)