7-(furan-2-ylmethyl)-3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine

Systemtic Name: 7-(furan-2-ylmethyl)-3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 7-(2-furylmethyl)-3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 7-(2-furanylmethyl)-3-[3-(1-imidazolyl)propyl]-5,6-dimethyl-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 7-(furan-2-ylmethyl)-3-(3-imidazol-1-ylpropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [7-(2-furfuryl)-3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C19H23N6O+ MolecularWeight: 351.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CCCN3C=CN=C3)N)CC4=CC=CO4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CCCN3C=CN=C3)N)CC4=CC=CO4)C

InChI

InChI=1S/C19H22N6O/c1-14-15(2)25(11-16-5-3-10-26-16)19-17(14)18(20)24(13-22-19)8-4-7-23-9-6-21-12-23/h3,5-6,9-10,12-13,20H,4,7-8,11H2,1-2H3/p+1