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

Systemtic Name: 2-[5,6-dimethyl-4-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethyl-dimethyl-azanium Openeye Name: 2-[5,6-dimethyl-4-(3-pyridylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethyl-dimethyl-ammonium CAS Name: 2-[5,6-dimethyl-4-(3-pyridinylmethylamino)-7-pyrrolo[2,3-d]pyrimidinyl]ethyl-dimethylammonium IUPAC Name: 2-[5,6-dimethyl-4-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethyl-dimethylazanium Traditional Name: 2-[5,6-dimethyl-4-(3-pyridylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]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)NCC3=CN=CC=C3)CC[NH+](C)C)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCC3=CN=CC=C3)CC[NH+](C)C)C

InChI

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