3-[4-[(2-methoxyphenyl)amino]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[4-[(2-methoxyphenyl)amino]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-azanium Openeye Name: 3-[4-(2-methoxyanilino)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-ammonium CAS Name: 3-[4-(2-methoxyanilino)-5,6-dimethyl-7-pyrrolo[2,3-d]pyrimidinyl]propyl-dimethylammonium IUPAC Name: 3-[4-(2-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethylazanium Traditional Name: 3-[5,6-dimethyl-4-(o-anisidino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-ammonium Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NC3=CC=CC=C3OC)CCC[NH+](C)C)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NC3=CC=CC=C3OC)CCC[NH+](C)C)C

InChI

InChI=1S/C20H27N5O/c1-14-15(2)25(12-8-11-24(3)4)20-18(14)19(21-13-22-20)23-16-9-6-7-10-17(16)26-5/h6-7,9-10,13H,8,11-12H2,1-5H3,(H,21,22,23)/p+1