2-(4-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-6-propan-2-ylsulfanyl-pyrimidine

Systemtic Name: 2-(4-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-6-propan-2-ylsulfanyl-pyrimidine Openeye Name: 4-isopropylsulfanyl-2-(4-methoxyphenyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine CAS Name: 2-(4-methoxyphenyl)-4-(4-methyl-1-piperazin-4-iumyl)-6-(propan-2-ylthio)pyrimidine IUPAC Name: 2-(4-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-6-propan-2-ylsulfanylpyrimidine Traditional Name: 4-(isopropylthio)-2-(4-methoxyphenyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Formula: C19H27N4OS+ MolecularWeight: 359.50888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC(=NC(=C1)N2CC[NH+](CC2)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)SC1=NC(=NC(=C1)N2CC[NH+](CC2)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H26N4OS/c1-14(2)25-18-13-17(23-11-9-22(3)10-12-23)20-19(21-18)15-5-7-16(24-4)8-6-15/h5-8,13-14H,9-12H2,1-4H3/p+1