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

Systemtic Name: 5,6-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)-7-pyridin-3-yl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 5,6-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)-7-(3-pyridyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-3-[3-(4-morpholin-4-iumyl)propyl]-7-(3-pyridinyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 5,6-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [5,6-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)-7-(3-pyridyl)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)CCC[NH+]3CCOCC3)N)C4=CN=CC=C4)C

Isomeric SMILES

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

InChI

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