1-methyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-1-ium-2,4-diamine iodide

Systemtic Name: 1-methyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-1-ium-2,4-diamine iodide Openeye Name: 1-methyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-1-ium-2,4-diamine iodide CAS Name: 1-methyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-1-ium-2,4-diamine iodide IUPAC Name: 1-methyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-1-ium-2,4-diamine iodide Traditional Name: [2-amino-1-methyl-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium-4-yl]amine iodide Formula: C15H21IN4O3 MolecularWeight: 432.25671

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N=C(C(=C1)CC2=CC(=C(C(=C2)OC)OC)OC)N)N.[I-]

Isomeric SMILES

C[N+]1=C(N=C(C(=C1)CC2=CC(=C(C(=C2)OC)OC)OC)N)N.[I-]

InChI

InChI=1S/C15H20N4O3.HI/c1-19-8-10(14(16)18-15(19)17)5-9-6-11(20-2)13(22-4)12(7-9)21-3;/h6-8H,5H2,1-4H3,(H3,16,17,18);1H