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

Systemtic Name: 5,6-dimethyl-7-(6-methylpyridin-2-yl)-3-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 5,6-dimethyl-7-(6-methyl-2-pyridyl)-3-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-7-(6-methyl-2-pyridinyl)-3-[2-(4-morpholin-4-iumyl)ethyl]-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 5,6-dimethyl-7-(6-methylpyridin-2-yl)-3-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [5,6-dimethyl-7-(6-methyl-2-pyridyl)-3-(2-morpholin-4-ium-4-ylethyl)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=NC(=CC=C1)N2C(=C(C3=C2N=C[N+](=C3N)CC[NH+]4CCOCC4)C)C

Isomeric SMILES

CC1=NC(=CC=C1)N2C(=C(C3=C2N=C[N+](=C3N)CC[NH+]4CCOCC4)C)C

InChI

InChI=1S/C20H26N6O/c1-14-5-4-6-17(23-14)26-16(3)15(2)18-19(21)25(13-22-20(18)26)8-7-24-9-11-27-12-10-24/h4-6,13,21H,7-12H2,1-3H3/p+2