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

Systemtic Name: 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-(3-imidazol-1-ylpropyl)-7-isobutyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 3-[3-(1-imidazolyl)propyl]-5,6-dimethyl-7-(2-methylpropyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3-(3-imidazol-1-ylpropyl)-7-isobutyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C18H27N6+ MolecularWeight: 327.44718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6/c1-13(2)10-24-15(4)14(3)16-17(19)23(12-21-18(16)24)8-5-7-22-9-6-20-11-22/h6,9,11-13,19H,5,7-8,10H2,1-4H3/p+1