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

Systemtic Name: 7-(4-methoxyphenyl)-5,6-dimethyl-3-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-benzyl-7-(4-methoxyphenyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 7-(4-methoxyphenyl)-5,6-dimethyl-3-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3-benzyl-7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3-benzyl-7-(4-methoxyphenyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C22H23N4O+ MolecularWeight: 359.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CC=CC=C3)N)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CC=CC=C3)N)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C22H22N4O/c1-15-16(2)26(18-9-11-19(27-3)12-10-18)22-20(15)21(23)25(14-24-22)13-17-7-5-4-6-8-17/h4-12,14,23H,13H2,1-3H3/p+1