N-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-[3-(1-imidazolyl)propyl]-5,6-dimethyl-7-[2-(4-morpholin-4-iumyl)ethyl]-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-(3-imidazol-1-ylpropyl)amine Formula: C20H30N7O+ MolecularWeight: 384.4985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NCCCN3C=CN=C3)CC[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCCCN3C=CN=C3)CC[NH+]4CCOCC4)C

InChI

InChI=1S/C20H29N7O/c1-16-17(2)27(9-8-25-10-12-28-13-11-25)20-18(16)19(23-14-24-20)22-4-3-6-26-7-5-21-15-26/h5,7,14-15H,3-4,6,8-13H2,1-2H3,(H,22,23,24)/p+1