3-[5,6-dimethyl-4-(3-morpholin-4-ium-4-ylpropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[5,6-dimethyl-4-(3-morpholin-4-ium-4-ylpropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-azanium Openeye Name: 3-[5,6-dimethyl-4-(3-morpholin-4-ium-4-ylpropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-ammonium CAS Name: 3-[5,6-dimethyl-4-[3-(4-morpholin-4-iumyl)propylamino]-7-pyrrolo[2,3-d]pyrimidinyl]propyl-dimethylammonium IUPAC Name: 3-[5,6-dimethyl-4-(3-morpholin-4-ium-4-ylpropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethylazanium Traditional Name: 3-[5,6-dimethyl-4-(3-morpholin-4-ium-4-ylpropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-ammonium Formula: C20H36N6O+2 MolecularWeight: 376.53944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NCCC[NH+]3CCOCC3)CCC[NH+](C)C)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCCC[NH+]3CCOCC3)CCC[NH+](C)C)C

InChI

InChI=1S/C20H34N6O/c1-16-17(2)26(10-6-8-24(3)4)20-18(16)19(22-15-23-20)21-7-5-9-25-11-13-27-14-12-25/h15H,5-14H2,1-4H3,(H,21,22,23)/p+2