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

Systemtic Name: 5,6-dimethyl-N-(3-morpholin-4-ium-4-ylpropyl)-7-phenethyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5,6-dimethyl-N-(3-morpholin-4-ium-4-ylpropyl)-7-phenethyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5,6-dimethyl-N-[3-(4-morpholin-4-iumyl)propyl]-7-phenethyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5,6-dimethyl-N-(3-morpholin-4-ium-4-ylpropyl)-7-phenethylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: (5,6-dimethyl-7-phenethyl-pyrrolo[2,3-d]pyrimidin-4-yl)-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C23H32N5O+ MolecularWeight: 394.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NCCC[NH+]3CCOCC3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCCC[NH+]3CCOCC3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C23H31N5O/c1-18-19(2)28(12-9-20-7-4-3-5-8-20)23-21(18)22(25-17-26-23)24-10-6-11-27-13-15-29-16-14-27/h3-5,7-8,17H,6,9-16H2,1-2H3,(H,24,25,26)/p+1