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

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

CCCCN1C(=C(C2=C1N=C[N+](=C2N)CCCN3C=CN=C3)C)C

Isomeric SMILES

CCCCN1C(=C(C2=C1N=C[N+](=C2N)CCCN3C=CN=C3)C)C

InChI

InChI=1S/C18H26N6/c1-4-5-10-24-15(3)14(2)16-17(19)23(13-21-18(16)24)9-6-8-22-11-7-20-12-22/h7,11-13,19H,4-6,8-10H2,1-3H3/p+1