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

Systemtic Name: 3-[4-azanyl-7-(furan-2-ylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[4-amino-7-(2-furylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[4-amino-7-(2-furanylmethyl)-5,6-dimethyl-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]propyl-dimethylammonium IUPAC Name: 3-[4-amino-7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethylazanium Traditional Name: 3-[4-amino-7-(2-furfuryl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethyl-ammonium Formula: C18H27N5O+2 MolecularWeight: 329.43988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CCC[NH+](C)C)N)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CCC[NH+](C)C)N)CC3=CC=CO3)C

InChI

InChI=1S/C18H25N5O/c1-13-14(2)23(11-15-7-5-10-24-15)18-16(13)17(19)22(12-20-18)9-6-8-21(3)4/h5,7,10,12,19H,6,8-9,11H2,1-4H3/p+2