S-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl] 3,4,5-trimethoxybenzenecarbothioate

Systemtic Name: S-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl] 3,4,5-trimethoxybenzenecarbothioate Openeye Name: S-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl] 3,4,5-trimethoxybenzenecarbothioate CAS Name: 3,4,5-trimethoxybenzenecarbothioic acid S-[4-methyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl] ester IUPAC Name: S-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl] 3,4,5-trimethoxybenzenecarbothioate Traditional Name: 3,4,5-trimethoxythiobenzoic acid S-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl] ester Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(=O)C2=CC(=C(C(=C2)OC)OC)OC)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC(=O)C2=CC(=C(C(=C2)OC)OC)OC)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H26N4O4S/c1-13-10-17(24-8-6-23(2)7-9-24)22-20(21-13)29-19(25)14-11-15(26-3)18(28-5)16(12-14)27-4/h10-12H,6-9H2,1-5H3/p+1