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

Systemtic Name: 2-[4-azanyl-5,6-dimethyl-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[4-amino-5,6-dimethyl-7-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[4-amino-5,6-dimethyl-7-(3-pyridinylmethyl)-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]ethyl-diethylammonium IUPAC Name: 2-[4-amino-5,6-dimethyl-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethylazanium Traditional Name: 2-[4-amino-5,6-dimethyl-7-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-ammonium Formula: C20H30N6+2 MolecularWeight: 354.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[N+]1=C(C2=C(N=C1)N(C(=C2C)C)CC3=CN=CC=C3)N

Isomeric SMILES

CC[NH+](CC)CC[N+]1=C(C2=C(N=C1)N(C(=C2C)C)CC3=CN=CC=C3)N

InChI

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