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

Systemtic Name: 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-(4-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 3-[3-(1-imidazolyl)propyl]-5,6-dimethyl-7-(pyridin-4-ylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-(4-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C20H24N7+ MolecularWeight: 362.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CCCN3C=CN=C3)N)CC4=CC=NC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CCCN3C=CN=C3)N)CC4=CC=NC=C4)C

InChI

InChI=1S/C20H23N7/c1-15-16(2)27(12-17-4-6-22-7-5-17)20-18(15)19(21)26(14-24-20)10-3-9-25-11-8-23-13-25/h4-8,11,13-14,21H,3,9-10,12H2,1-2H3/p+1