6-(4-methoxyphenyl)-N4-pyridin-1-ium-2-yl-pyrimidine-2,4-diamine

Systemtic Name: 6-(4-methoxyphenyl)-N4-pyridin-1-ium-2-yl-pyrimidine-2,4-diamine Openeye Name: 6-(4-methoxyphenyl)-N4-pyridin-1-ium-2-yl-pyrimidine-2,4-diamine CAS Name: 6-(4-methoxyphenyl)-N4-(2-pyridin-1-iumyl)pyrimidine-2,4-diamine IUPAC Name: 6-(4-methoxyphenyl)-4-N-pyridin-1-ium-2-ylpyrimidine-2,4-diamine Traditional Name: [2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-pyridin-1-ium-2-yl-amine Formula: C16H16N5O+ MolecularWeight: 294.33114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)N)NC3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)N)NC3=CC=CC=[NH+]3

InChI

InChI=1S/C16H15N5O/c1-22-12-7-5-11(6-8-12)13-10-15(21-16(17)19-13)20-14-4-2-3-9-18-14/h2-10H,1H3,(H3,17,18,19,20,21)/p+1