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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC1=NC=NC2=C1C(=C(N2C3=CN=CC=C3)C)C

Isomeric SMILES

CC[NH+](CC)CCCNC1=NC=NC2=C1C(=C(N2C3=CN=CC=C3)C)C

InChI

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