2-azanyl-4-methylsulfanyl-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-methylsulfanyl-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-methylsulfanyl-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(methylthio)-6-(4-phenyl-1-piperazinyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-methylsulfanyl-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(methylthio)-6-(4-phenylpiperazino)pyrimidine-5-carbonitrile Formula: C16H18N6S MolecularWeight: 326.41932

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1C#N)N2CCN(CC2)C3=CC=CC=C3)N

Isomeric SMILES

CSC1=NC(=NC(=C1C#N)N2CCN(CC2)C3=CC=CC=C3)N

InChI

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