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

Systemtic Name: 5,6-dimethyl-7-(2-morpholin-4-ylethyl)-3-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 5,6-dimethyl-7-(2-morpholinoethyl)-3-(4-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-7-[2-(4-morpholinyl)ethyl]-3-(pyridin-4-ylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 5,6-dimethyl-7-(2-morpholin-4-ylethyl)-3-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [5,6-dimethyl-7-(2-morpholinoethyl)-3-(4-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C20H27N6O+ MolecularWeight: 367.46798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CC=NC=C3)N)CCN4CCOCC4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CC=NC=C3)N)CCN4CCOCC4)C

InChI

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