5,6-dimethyl-7-(3-morpholin-4-ium-4-ylpropyl)-N-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 5,6-dimethyl-7-(3-morpholin-4-ium-4-ylpropyl)-N-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5,6-dimethyl-7-(3-morpholin-4-ium-4-ylpropyl)-N-(4-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5,6-dimethyl-7-[3-(4-morpholin-4-iumyl)propyl]-N-(pyridin-4-ylmethyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5,6-dimethyl-7-(3-morpholin-4-ium-4-ylpropyl)-N-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-7-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[2,3-d]pyrimidin-4-yl]-(4-pyridylmethyl)amine Formula: C21H29N6O+ MolecularWeight: 381.49456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NCC3=CC=NC=C3)CCC[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCC3=CC=NC=C3)CCC[NH+]4CCOCC4)C

InChI

InChI=1S/C21H28N6O/c1-16-17(2)27(9-3-8-26-10-12-28-13-11-26)21-19(16)20(24-15-25-21)23-14-18-4-6-22-7-5-18/h4-7,15H,3,8-14H2,1-2H3,(H,23,24,25)/p+1