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

Systemtic Name: 5,6-dimethyl-3-(phenylmethyl)-7-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-benzyl-5,6-dimethyl-7-(4-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-3-(phenylmethyl)-7-(pyridin-4-ylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3-benzyl-5,6-dimethyl-7-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3-benzyl-5,6-dimethyl-7-(4-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=C(N(C2=C1C(=[N+](C=N2)CC3=CC=CC=C3)N)CC4=CC=NC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CC=CC=C3)N)CC4=CC=NC=C4)C

InChI

InChI=1S/C21H21N5/c1-15-16(2)26(13-18-8-10-23-11-9-18)21-19(15)20(22)25(14-24-21)12-17-6-4-3-5-7-17/h3-11,14,22H,12-13H2,1-2H3/p+1