3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-pyridin-3-yl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine

Systemtic Name: 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-pyridin-3-yl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-(3-pyridyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 3-[3-(1-imidazolyl)propyl]-5,6-dimethyl-7-(3-pyridinyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-(3-pyridyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C19H22N7+ MolecularWeight: 348.42488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CCCN3C=CN=C3)N)C4=CN=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CCCN3C=CN=C3)N)C4=CN=CC=C4)C

InChI

InChI=1S/C19H21N7/c1-14-15(2)26(16-5-3-6-21-11-16)19-17(14)18(20)25(13-23-19)9-4-8-24-10-7-22-12-24/h3,5-7,10-13,20H,4,8-9H2,1-2H3/p+1