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

Systemtic Name: 5,6-dimethyl-7-(6-methylpyridin-2-yl)-3-(3-morpholin-4-ylpropyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 5,6-dimethyl-7-(6-methyl-2-pyridyl)-3-(3-morpholinopropyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-7-(6-methyl-2-pyridinyl)-3-[3-(4-morpholinyl)propyl]-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 5,6-dimethyl-7-(6-methylpyridin-2-yl)-3-(3-morpholin-4-ylpropyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [5,6-dimethyl-7-(6-methyl-2-pyridyl)-3-(3-morpholinopropyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C21H29N6O+ MolecularWeight: 381.49456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2C(=C(C3=C2N=C[N+](=C3N)CCCN4CCOCC4)C)C

Isomeric SMILES

CC1=NC(=CC=C1)N2C(=C(C3=C2N=C[N+](=C3N)CCCN4CCOCC4)C)C

InChI

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