6-(4-methylpiperazin-1-yl)-2-oxidanylidene-3-phenyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-methylpiperazin-1-yl)-2-oxidanylidene-3-phenyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-methylpiperazin-1-yl)-2-oxo-3-phenyl-4-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methyl-1-piperazinyl)-2-oxo-3-phenyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methylpiperazin-1-yl)-2-oxo-3-phenyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 2-keto-6-(4-methylpiperazino)-3-phenyl-4-thioxo-1H-pyrimidine-5-carbonitrile Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5OS/c1-19-7-9-20(10-8-19)14-13(11-17)15(23)21(16(22)18-14)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,18,22)