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

Systemtic Name: 3-[7-(furan-2-ylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid Openeye Name: 3-[7-(2-furylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid CAS Name: 3-[[7-(2-furanylmethyl)-5,6-dimethyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]propanoic acid IUPAC Name: 3-[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid Traditional Name: 3-[[7-(2-furfuryl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]thio]propionic acid Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)SCCC(=O)O)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)SCCC(=O)O)CC3=CC=CO3)C

InChI

InChI=1S/C16H17N3O3S/c1-10-11(2)19(8-12-4-3-6-22-12)15-14(10)16(18-9-17-15)23-7-5-13(20)21/h3-4,6,9H,5,7-8H2,1-2H3,(H,20,21)