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

Systemtic Name: 4-(4-methylpiperazin-1-yl)-1-(phenylmethyl)-6-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 1-benzyl-4-(4-methylpiperazin-1-yl)-6-thioxo-pyrimidine-5-carbonitrile CAS Name: 4-(4-methyl-1-piperazinyl)-1-(phenylmethyl)-6-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 1-benzyl-4-(4-methylpiperazin-1-yl)-6-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 1-benzyl-4-(4-methylpiperazino)-6-thioxo-pyrimidine-5-carbonitrile Formula: C17H19N5S MolecularWeight: 325.43126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5S/c1-20-7-9-21(10-8-20)16-15(11-18)17(23)22(13-19-16)12-14-5-3-2-4-6-14/h2-6,13H,7-10,12H2,1H3