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

Systemtic Name: 5,6-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)-7-phenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 5,6-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)-7-phenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-3-[3-(4-morpholin-4-iumyl)propyl]-7-phenyl-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 5,6-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)-7-phenylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [5,6-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)-7-phenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C21H29N5O+2 MolecularWeight: 367.48786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CCC[NH+]3CCOCC3)N)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CCC[NH+]3CCOCC3)N)C4=CC=CC=C4)C

InChI

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