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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCCC[NH+]3CCOCC3)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(23-15-24-21)22-9-6-10-25-11-13-27-14-12-25/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,22,23,24)/p+1