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

Systemtic Name: 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 3-[3-(1-imidazolyl)propyl]-5,6-dimethyl-7-(4-methylphenyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C21H25N6+ MolecularWeight: 361.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C3=C2N=C[N+](=C3N)CCCN4C=CN=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C3=C2N=C[N+](=C3N)CCCN4C=CN=C4)C)C

InChI

InChI=1S/C21H24N6/c1-15-5-7-18(8-6-15)27-17(3)16(2)19-20(22)26(14-24-21(19)27)11-4-10-25-12-9-23-13-25/h5-9,12-14,22H,4,10-11H2,1-3H3/p+1