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

Systemtic Name: 2-[7-(furan-2-ylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: 2-[7-(2-furylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[7-(2-furanylmethyl)-5,6-dimethyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]acetate IUPAC Name: 2-[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[7-(2-furfuryl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]thio]acetate Formula: C15H14N3O3S- MolecularWeight: 316.35496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O3S/c1-9-10(2)18(6-11-4-3-5-21-11)14-13(9)15(17-8-16-14)22-7-12(19)20/h3-5,8H,6-7H2,1-2H3,(H,19,20)/p-1