5,6-dimethyl-7-(4-methylpyridin-2-yl)-3-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine

Systemtic Name: 5,6-dimethyl-7-(4-methylpyridin-2-yl)-3-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 5,6-dimethyl-7-(4-methyl-2-pyridyl)-3-(4-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-7-(4-methyl-2-pyridinyl)-3-(pyridin-4-ylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 5,6-dimethyl-7-(4-methylpyridin-2-yl)-3-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [5,6-dimethyl-7-(4-methyl-2-pyridyl)-3-(4-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C20H21N6+ MolecularWeight: 345.42094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=C(C3=C2N=C[N+](=C3N)CC4=CC=NC=C4)C)C

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=C(C3=C2N=C[N+](=C3N)CC4=CC=NC=C4)C)C

InChI

InChI=1S/C20H20N6/c1-13-4-9-23-17(10-13)26-15(3)14(2)18-19(21)25(12-24-20(18)26)11-16-5-7-22-8-6-16/h4-10,12,21H,11H2,1-3H3/p+1