2-[[7-(furan-2-ylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]azaniumyl]ethanoate

Systemtic Name: 2-[[7-(furan-2-ylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]azaniumyl]ethanoate Openeye Name: 2-[[7-(2-furylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]ammonio]acetate CAS Name: 2-[[7-(2-furanylmethyl)-5,6-dimethyl-4-pyrrolo[2,3-d]pyrimidinyl]ammonio]acetate IUPAC Name: 2-[[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]azaniumyl]acetate Traditional Name: 2-[[7-(2-furfuryl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]ammonio]acetate Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)[NH2+]CC(=O)[O-])CC3=CC=CO3)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)[NH2+]CC(=O)[O-])CC3=CC=CO3)C

InChI

InChI=1S/C15H16N4O3/c1-9-10(2)19(7-11-4-3-5-22-11)15-13(9)14(17-8-18-15)16-6-12(20)21/h3-5,8H,6-7H2,1-2H3,(H,20,21)(H,16,17,18)