4-(4-ethylpiperazin-4-ium-1-yl)-6-methylsulfanyl-2-phenyl-pyrimidine

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-methylsulfanyl-2-phenyl-pyrimidine Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-methylsulfanyl-2-phenyl-pyrimidine CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-6-(methylthio)-2-phenylpyrimidine IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-methylsulfanyl-2-phenylpyrimidine Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-(methylthio)-2-phenyl-pyrimidine Formula: C17H23N4S+ MolecularWeight: 315.45632

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=NC(=N2)C3=CC=CC=C3)SC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=NC(=N2)C3=CC=CC=C3)SC

InChI

InChI=1S/C17H22N4S/c1-3-20-9-11-21(12-10-20)15-13-16(22-2)19-17(18-15)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3/p+1