3-methyl-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidin-3-ium-4-amine

Systemtic Name: 3-methyl-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidin-3-ium-4-amine Openeye Name: 5-[(4-isopropoxyphenyl)methyl]-3-methyl-2-methylsulfanyl-pyrimidin-3-ium-4-amine CAS Name: 3-methyl-2-(methylthio)-5-[(4-propan-2-yloxyphenyl)methyl]-4-pyrimidin-3-iumamine IUPAC Name: 3-methyl-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidin-3-ium-4-amine Traditional Name: [5-(4-isopropoxybenzyl)-3-methyl-2-(methylthio)pyrimidin-3-ium-4-yl]amine Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CC2=CN=C([N+](=C2N)C)SC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CC2=CN=C([N+](=C2N)C)SC

InChI

InChI=1S/C16H21N3OS/c1-11(2)20-14-7-5-12(6-8-14)9-13-10-18-16(21-4)19(3)15(13)17/h5-8,10-11,17H,9H2,1-4H3/p+1