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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NCCC[NH+](C)C)C3=CN=CC=C3)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCCC[NH+](C)C)C3=CN=CC=C3)C

InChI

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