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

Systemtic Name: 5,6-dimethyl-7-(4-methylphenyl)-3-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-benzyl-5,6-dimethyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-7-(4-methylphenyl)-3-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3-benzyl-5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3-benzyl-5,6-dimethyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C22H23N4+ MolecularWeight: 343.44482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C3=C2N=C[N+](=C3N)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C3=C2N=C[N+](=C3N)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C22H22N4/c1-15-9-11-19(12-10-15)26-17(3)16(2)20-21(23)25(14-24-22(20)26)13-18-7-5-4-6-8-18/h4-12,14,23H,13H2,1-3H3/p+1