2-[[5,6-dimethyl-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[5,6-dimethyl-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[5,6-dimethyl-7-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[5,6-dimethyl-7-(3-pyridinylmethyl)-4-pyrrolo[2,3-d]pyrimidinyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[5,6-dimethyl-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl-diethylazanium Traditional Name: 2-[[5,6-dimethyl-7-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl-diethyl-ammonium Formula: C20H29N6+ MolecularWeight: 353.48446

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=NC=NC2=C1C(=C(N2CC3=CN=CC=C3)C)C

Isomeric SMILES

CC[NH+](CC)CCNC1=NC=NC2=C1C(=C(N2CC3=CN=CC=C3)C)C

InChI

InChI=1S/C20H28N6/c1-5-25(6-2)11-10-22-19-18-15(3)16(4)26(20(18)24-14-23-19)13-17-8-7-9-21-12-17/h7-9,12,14H,5-6,10-11,13H2,1-4H3,(H,22,23,24)/p+1