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

Systemtic Name: 4-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 4-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-(methylthio)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 4-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 4-(methylthio)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C16H18N4S MolecularWeight: 298.40592

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NCNC(=C1C#N)N2CCC3=CC=CC=C3CC2

Isomeric SMILES

CSC1=NCNC(=C1C#N)N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C16H18N4S/c1-21-16-14(10-17)15(18-11-19-16)20-8-6-12-4-2-3-5-13(12)7-9-20/h2-5,18H,6-9,11H2,1H3