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

Systemtic Name: 6-(4-methylpiperazin-1-yl)-2-oxidanylidene-3-(phenylmethyl)-4-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 3-benzyl-6-(4-methylpiperazin-1-yl)-2-oxo-4-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methyl-1-piperazinyl)-2-oxo-3-(phenylmethyl)-4-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 3-benzyl-6-(4-methylpiperazin-1-yl)-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 3-benzyl-2-keto-6-(4-methylpiperazino)-4-thioxo-1H-pyrimidine-5-carbonitrile Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=S)N(C(=O)N2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=S)N(C(=O)N2)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C17H19N5OS/c1-20-7-9-21(10-8-20)15-14(11-18)16(24)22(17(23)19-15)12-13-5-3-2-4-6-13/h2-6H,7-10,12H2,1H3,(H,19,23)