6-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)hexanoate

Systemtic Name: 6-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)hexanoate Openeye Name: 6-(benzofuro[3,2-d]pyrimidin-4-ylamino)hexanoate CAS Name: 6-(4-benzofuro[3,2-d]pyrimidinylamino)hexanoate IUPAC Name: 6-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)hexanoate Traditional Name: 6-(benzofuro[3,2-d]pyrimidin-4-ylamino)hexanoate Formula: C16H16N3O3- MolecularWeight: 298.31654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)NCCCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)NCCCCCC(=O)[O-]

InChI

InChI=1S/C16H17N3O3/c20-13(21)8-2-1-5-9-17-16-15-14(18-10-19-16)11-6-3-4-7-12(11)22-15/h3-4,6-7,10H,1-2,5,8-9H2,(H,20,21)(H,17,18,19)/p-1