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

Systemtic Name: 5,6-dimethyl-7-(6-methylpyridin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5,6-dimethyl-7-(6-methyl-2-pyridyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5,6-dimethyl-7-(6-methyl-2-pyridinyl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5,6-dimethyl-7-(6-methylpyridin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-7-(6-methyl-2-pyridyl)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=NC(=CC=C1)N2C(=C(C3=C2N=CN=C3NCCC[NH+]4CCOCC4)C)C

Isomeric SMILES

CC1=NC(=CC=C1)N2C(=C(C3=C2N=CN=C3NCCC[NH+]4CCOCC4)C)C

InChI

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