1-methyl-4-(4-phenylpiperazin-1-yl)-6-sulfanylidene-pyrimidine-5-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C(C1=S)C#N)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CN1C=NC(=C(C1=S)C#N)N2CCN(CC2)C3=CC=CC=C3

InChI

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