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

Systemtic Name: 5,6-dimethyl-7-(4-methylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 5,6-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-7-(4-methylphenyl)-3-[3-(4-morpholin-4-iumyl)propyl]-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 5,6-dimethyl-7-(4-methylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [5,6-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C22H31N5O+2 MolecularWeight: 381.51444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O/c1-16-5-7-19(8-6-16)27-18(3)17(2)20-21(23)26(15-24-22(20)27)10-4-9-25-11-13-28-14-12-25/h5-8,15,23H,4,9-14H2,1-3H3/p+2