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

Systemtic Name: 3-[5,6-dimethyl-4-(2-morpholin-4-ium-4-ylethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl-diethyl-azanium Openeye Name: 3-[5,6-dimethyl-4-(2-morpholin-4-ium-4-ylethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl-diethyl-ammonium CAS Name: 3-[5,6-dimethyl-4-[2-(4-morpholin-4-iumyl)ethylamino]-7-pyrrolo[2,3-d]pyrimidinyl]propyl-diethylammonium IUPAC Name: 3-[5,6-dimethyl-4-(2-morpholin-4-ium-4-ylethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl-diethylazanium Traditional Name: 3-[5,6-dimethyl-4-(2-morpholin-4-ium-4-ylethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl-diethyl-ammonium Formula: C21H38N6O+2 MolecularWeight: 390.56602

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=C(C2=C1N=CN=C2NCC[NH+]3CCOCC3)C)C

Isomeric SMILES

CC[NH+](CC)CCCN1C(=C(C2=C1N=CN=C2NCC[NH+]3CCOCC3)C)C

InChI

InChI=1S/C21H36N6O/c1-5-25(6-2)9-7-10-27-18(4)17(3)19-20(23-16-24-21(19)27)22-8-11-26-12-14-28-15-13-26/h16H,5-15H2,1-4H3,(H,22,23,24)/p+2