4-methylsulfanyl-2-phenyl-6-piperazin-1-yl-pyrimidine-5-carbonitrile

Systemtic Name: 4-methylsulfanyl-2-phenyl-6-piperazin-1-yl-pyrimidine-5-carbonitrile Openeye Name: 4-methylsulfanyl-2-phenyl-6-piperazin-1-yl-pyrimidine-5-carbonitrile CAS Name: 4-(methylthio)-2-phenyl-6-(1-piperazinyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-methylsulfanyl-2-phenyl-6-piperazin-1-ylpyrimidine-5-carbonitrile Traditional Name: 4-(methylthio)-2-phenyl-6-piperazino-pyrimidine-5-carbonitrile Formula: C16H17N5S MolecularWeight: 311.40468

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1C#N)N2CCNCC2)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=NC(=C1C#N)N2CCNCC2)C3=CC=CC=C3

InChI

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