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

Systemtic Name: 5,6-dimethyl-3-(pyridin-3-ylmethyl)-7-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 5,6-dimethyl-3-(3-pyridylmethyl)-7-(4-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-3-(3-pyridinylmethyl)-7-(pyridin-4-ylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 5,6-dimethyl-3-(pyridin-3-ylmethyl)-7-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [5,6-dimethyl-3-(3-pyridylmethyl)-7-(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=C(N(C2=C1C(=[N+](C=N2)CC3=CN=CC=C3)N)CC4=CC=NC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CN=CC=C3)N)CC4=CC=NC=C4)C

InChI

InChI=1S/C20H20N6/c1-14-15(2)26(12-16-5-8-22-9-6-16)20-18(14)19(21)25(13-24-20)11-17-4-3-7-23-10-17/h3-10,13,21H,11-12H2,1-2H3/p+1