3-[[5,6-dimethyl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[5,6-dimethyl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[5,6-dimethyl-7-(2-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[5,6-dimethyl-7-(2-pyridinylmethyl)-4-pyrrolo[2,3-d]pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[5,6-dimethyl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[5,6-dimethyl-7-(2-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium Formula: C19H27N6+ MolecularWeight: 339.45788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NCCC[NH+](C)C)CC3=CC=CC=N3)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCCC[NH+](C)C)CC3=CC=CC=N3)C

InChI

InChI=1S/C19H26N6/c1-14-15(2)25(12-16-8-5-6-9-20-16)19-17(14)18(22-13-23-19)21-10-7-11-24(3)4/h5-6,8-9,13H,7,10-12H2,1-4H3,(H,21,22,23)/p+1