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

Systemtic Name: 5,6-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)-N-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-benzyl-5,6-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5,6-dimethyl-7-[2-(4-morpholin-4-iumyl)ethyl]-N-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-benzyl-5,6-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: benzyl-[5,6-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C21H28N5O+ MolecularWeight: 366.47992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NCC3=CC=CC=C3)CC[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCC3=CC=CC=C3)CC[NH+]4CCOCC4)C

InChI

InChI=1S/C21H27N5O/c1-16-17(2)26(9-8-25-10-12-27-13-11-25)21-19(16)20(23-15-24-21)22-14-18-6-4-3-5-7-18/h3-7,15H,8-14H2,1-2H3,(H,22,23,24)/p+1