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

Systemtic Name: 5,6-dimethyl-3-(2-morpholin-4-ium-4-ylethyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 5,6-dimethyl-3-(2-morpholin-4-ium-4-ylethyl)-7-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-3-[2-(4-morpholin-4-iumyl)ethyl]-7-(3-pyridinylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 5,6-dimethyl-3-(2-morpholin-4-ium-4-ylethyl)-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [5,6-dimethyl-3-(2-morpholin-4-ium-4-ylethyl)-7-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C20H28N6O+2 MolecularWeight: 368.47592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O/c1-15-16(2)26(13-17-4-3-5-22-12-17)20-18(15)19(21)25(14-23-20)7-6-24-8-10-27-11-9-24/h3-5,12,14,21H,6-11,13H2,1-2H3/p+2