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

Systemtic Name: 5,6-dimethyl-7-phenyl-3-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 5,6-dimethyl-7-phenyl-3-(4-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-7-phenyl-3-(pyridin-4-ylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 5,6-dimethyl-7-phenyl-3-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [5,6-dimethyl-7-phenyl-3-(4-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C20H20N5+ MolecularWeight: 330.4063

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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=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5/c1-14-15(2)25(17-6-4-3-5-7-17)20-18(14)19(21)24(13-23-20)12-16-8-10-22-11-9-16/h3-11,13,21H,12H2,1-2H3/p+1