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

Systemtic Name: 3-[[7-(furan-2-ylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[7-(2-furylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[7-(2-furanylmethyl)-5,6-dimethyl-4-pyrrolo[2,3-d]pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[7-(2-furfuryl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium Formula: C18H26N5O+ MolecularWeight: 328.43194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NCCC[NH+](C)C)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCCC[NH+](C)C)CC3=CC=CO3)C

InChI

InChI=1S/C18H25N5O/c1-13-14(2)23(11-15-7-5-10-24-15)18-16(13)17(20-12-21-18)19-8-6-9-22(3)4/h5,7,10,12H,6,8-9,11H2,1-4H3,(H,19,20,21)/p+1