4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride

Systemtic Name: 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride Openeye Name: 4-(benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride CAS Name: 4-(4-benzofuro[3,2-d]pyrimidinylamino)benzoic acid hydrochloride IUPAC Name: 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride Traditional Name: 4-(benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride Formula: C17H12ClN3O3 MolecularWeight: 341.74848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)NC4=CC=C(C=C4)C(=O)O.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)NC4=CC=C(C=C4)C(=O)O.Cl

InChI

InChI=1S/C17H11N3O3.ClH/c21-17(22)10-5-7-11(8-6-10)20-16-15-14(18-9-19-16)12-3-1-2-4-13(12)23-15;/h1-9H,(H,21,22)(H,18,19,20);1H