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

Systemtic Name: 7-(4-methoxyphenyl)-5,6-dimethyl-3-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 7-(4-methoxyphenyl)-5,6-dimethyl-3-(4-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 7-(4-methoxyphenyl)-5,6-dimethyl-3-(pyridin-4-ylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 7-(4-methoxyphenyl)-5,6-dimethyl-3-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [7-(4-methoxyphenyl)-5,6-dimethyl-3-(4-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C21H22N5O+ MolecularWeight: 360.43228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O/c1-14-15(2)26(17-4-6-18(27-3)7-5-17)21-19(14)20(22)25(13-24-21)12-16-8-10-23-11-9-16/h4-11,13,22H,12H2,1-3H3/p+1