2-methylsulfanyl-4-phenyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidine-5-carbonitrile

Systemtic Name: 2-methylsulfanyl-4-phenyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidine-5-carbonitrile Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 2-(methylthio)-4-phenyl-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(methylthio)-6-phenyl-pyrimidine-5-carbonitrile Formula: C23H24N5S+ MolecularWeight: 402.53516

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)N2CC[NH+](CC2)CC3=CC=CC=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=C(C(=N1)N2CC[NH+](CC2)CC3=CC=CC=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5S/c1-29-23-25-21(19-10-6-3-7-11-19)20(16-24)22(26-23)28-14-12-27(13-15-28)17-18-8-4-2-5-9-18/h2-11H,12-15,17H2,1H3/p+1