4-methyl-N-[2-[(1-methylpyrrolidin-1-ium-1-yl)methoxy]ethyl]-N-(2-methylsulfanyl-4-propan-2-yl-phenyl)pyrimidin-2-amine

Systemtic Name: 4-methyl-N-[2-[(1-methylpyrrolidin-1-ium-1-yl)methoxy]ethyl]-N-(2-methylsulfanyl-4-propan-2-yl-phenyl)pyrimidin-2-amine Openeye Name: N-(4-isopropyl-2-methylsulfanyl-phenyl)-4-methyl-N-[2-[(1-methylpyrrolidin-1-ium-1-yl)methoxy]ethyl]pyrimidin-2-amine CAS Name: 4-methyl-N-[2-[(1-methyl-1-pyrrolidin-1-iumyl)methoxy]ethyl]-N-[2-(methylthio)-4-propan-2-ylphenyl]-2-pyrimidinamine IUPAC Name: 4-methyl-N-[2-[(1-methylpyrrolidin-1-ium-1-yl)methoxy]ethyl]-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine Traditional Name: [4-isopropyl-2-(methylthio)phenyl]-(4-methylpyrimidin-2-yl)-[2-[(1-methylpyrrolidin-1-ium-1-yl)methoxy]ethyl]amine Formula: C23H35N4OS+ MolecularWeight: 415.6152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)N(CCOC[N+]2(CCCC2)C)C3=C(C=C(C=C3)C(C)C)SC

Isomeric SMILES

CC1=NC(=NC=C1)N(CCOC[N+]2(CCCC2)C)C3=C(C=C(C=C3)C(C)C)SC

InChI

InChI=1S/C23H35N4OS/c1-18(2)20-8-9-21(22(16-20)29-5)26(23-24-11-10-19(3)25-23)12-15-28-17-27(4)13-6-7-14-27/h8-11,16,18H,6-7,12-15,17H2,1-5H3/q+1