2,4-dimethyl-6-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 2,4-dimethyl-6-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2,4-dimethyl-6-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 2,4-dimethyl-6-[[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 2,4-dimethyl-6-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-[[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]thio]-2,6-dimethyl-pyrimidine-5-carbonitrile Formula: C23H23N5O3S2 MolecularWeight: 481.59042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C#N

InChI

InChI=1S/C23H23N5O3S2/c1-16-21(14-24)23(26-17(2)25-16)32-15-22(29)27-9-11-28(12-10-27)33(30,31)20-8-7-18-5-3-4-6-19(18)13-20/h3-8,13H,9-12,15H2,1-2H3