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

Systemtic Name: 7-cyclohexyl-3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 7-cyclohexyl-3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 7-cyclohexyl-3-[3-(1-imidazolyl)propyl]-5,6-dimethyl-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 7-cyclohexyl-3-(3-imidazol-1-ylpropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [7-cyclohexyl-3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C20H29N6+ MolecularWeight: 353.48446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CCCN3C=CN=C3)N)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CCCN3C=CN=C3)N)C4CCCCC4)C

InChI

InChI=1S/C20H28N6/c1-15-16(2)26(17-7-4-3-5-8-17)20-18(15)19(21)25(14-23-20)11-6-10-24-12-9-22-13-24/h9,12-14,17,21H,3-8,10-11H2,1-2H3/p+1