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

Systemtic Name: 3-[[7-(furan-2-ylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propanoate Openeye Name: 3-[[7-(2-furylmethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propanoate CAS Name: 3-[[7-(2-furanylmethyl)-5,6-dimethyl-4-pyrrolo[2,3-d]pyrimidinyl]amino]propanoate IUPAC Name: 3-[[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[[7-(2-furfuryl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propionate Formula: C16H17N4O3- MolecularWeight: 313.33118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3/c1-10-11(2)20(8-12-4-3-7-23-12)16-14(10)15(18-9-19-16)17-6-5-13(21)22/h3-4,7,9H,5-6,8H2,1-2H3,(H,21,22)(H,17,18,19)/p-1