4-(4-methylpiperazin-1-yl)-1-phenyl-6-sulfanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methylpiperazin-1-yl)-1-phenyl-6-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-(4-methylpiperazin-1-yl)-1-phenyl-6-thioxo-pyrimidine-5-carbonitrile CAS Name: 4-(4-methyl-1-piperazinyl)-1-phenyl-6-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylpiperazin-1-yl)-1-phenyl-6-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 4-(4-methylpiperazino)-1-phenyl-6-thioxo-pyrimidine-5-carbonitrile Formula: C16H17N5S MolecularWeight: 311.40468

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=S)N(C=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=S)N(C=N2)C3=CC=CC=C3)C#N

InChI

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