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

Systemtic Name: 2-[4-azanyl-7-(furan-2-ylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-azanium Openeye Name: 2-[4-amino-7-(2-furylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-ammonium CAS Name: 2-[4-amino-7-(2-furanylmethyl)-5,6-dimethyl-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]ethyl-dimethylammonium IUPAC Name: 2-[4-amino-7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethylazanium Traditional Name: 2-[4-amino-7-(2-furfuryl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-ammonium Formula: C17H25N5O+2 MolecularWeight: 315.4133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O/c1-12-13(2)22(10-14-6-5-9-23-14)17-15(12)16(18)21(11-19-17)8-7-20(3)4/h5-6,9,11,18H,7-8,10H2,1-4H3/p+2