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

Systemtic Name: 7-(4-methoxyphenyl)-5,6-dimethyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-(4-methoxyphenyl)-5,6-dimethyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-(4-methoxyphenyl)-5,6-dimethyl-N-[3-(4-morpholin-4-iumyl)propyl]-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-(4-methoxyphenyl)-5,6-dimethyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-(4-methoxyphenyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2/c1-16-17(2)27(18-5-7-19(28-3)8-6-18)22-20(16)21(24-15-25-22)23-9-4-10-26-11-13-29-14-12-26/h5-8,15H,4,9-14H2,1-3H3,(H,23,24,25)/p+1