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

Systemtic Name: 5,6-dimethyl-7-(4-methylphenyl)-3-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 5,6-dimethyl-7-(p-tolyl)-3-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-7-(4-methylphenyl)-3-(3-pyridinylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 5,6-dimethyl-7-(4-methylphenyl)-3-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [5,6-dimethyl-7-(p-tolyl)-3-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C21H22N5+ MolecularWeight: 344.43288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5/c1-14-6-8-18(9-7-14)26-16(3)15(2)19-20(22)25(13-24-21(19)26)12-17-5-4-10-23-11-17/h4-11,13,22H,12H2,1-3H3/p+1