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

Systemtic Name: 3-[4-azanyl-5,6-dimethyl-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propyl-diethyl-azanium Openeye Name: 3-[4-amino-5,6-dimethyl-7-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propyl-diethyl-ammonium CAS Name: 3-[4-amino-5,6-dimethyl-7-(3-pyridinylmethyl)-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]propyl-diethylammonium IUPAC Name: 3-[4-amino-5,6-dimethyl-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propyl-diethylazanium Traditional Name: 3-[4-amino-5,6-dimethyl-7-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propyl-diethyl-ammonium Formula: C21H32N6+2 MolecularWeight: 368.51898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6/c1-5-25(6-2)11-8-12-26-15-24-21-19(20(26)22)16(3)17(4)27(21)14-18-9-7-10-23-13-18/h7,9-10,13,15,22H,5-6,8,11-12,14H2,1-4H3/p+2