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

Systemtic Name: 2-[[5,6-dimethyl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[5,6-dimethyl-7-(2-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[5,6-dimethyl-7-(2-pyridinylmethyl)-4-pyrrolo[2,3-d]pyrimidinyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5,6-dimethyl-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5,6-dimethyl-7-(2-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl-dimethyl-ammonium Formula: C18H25N6+ MolecularWeight: 325.4313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6/c1-13-14(2)24(11-15-7-5-6-8-19-15)18-16(13)17(21-12-22-18)20-9-10-23(3)4/h5-8,12H,9-11H2,1-4H3,(H,20,21,22)/p+1