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

Systemtic Name: 5,6-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 5,6-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)-7-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-3-[3-(4-morpholin-4-iumyl)propyl]-7-(3-pyridinylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 5,6-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [5,6-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)-7-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C21H30N6O+2 MolecularWeight: 382.5025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O/c1-16-17(2)27(14-18-5-3-6-23-13-18)21-19(16)20(22)26(15-24-21)8-4-7-25-9-11-28-12-10-25/h3,5-6,13,15,22H,4,7-12,14H2,1-2H3/p+2