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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NCCC[NH+]3CCOCC3)CC4=CC=NC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCCC[NH+]3CCOCC3)CC4=CC=NC=C4)C

InChI

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