5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-1,3-diium-2,4,6-triamine

Systemtic Name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-1,3-diium-2,4,6-triamine Openeye Name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-1,3-diium-2,4,6-triamine CAS Name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-1,3-diium-2,4,6-triamine IUPAC Name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-1,3-diium-2,4,6-triamine Traditional Name: [2,6-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine-1,3-diium-4-yl]amine Formula: C14H21N5O3+2 MolecularWeight: 307.34824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=C([NH+]=C([NH+]=C2N)N)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=C([NH+]=C([NH+]=C2N)N)N

InChI

InChI=1S/C14H19N5O3/c1-20-9-5-7(6-10(21-2)11(9)22-3)4-8-12(15)18-14(17)19-13(8)16/h5-6H,4H2,1-3H3,(H6,15,16,17,18,19)/p+2