3-[[6-azanyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[6-azanyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[6-amino-4-(2-furyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzoic acid CAS Name: 3-[[6-amino-4-(2-furanyl)-1-pyrazolo[3,4-d]pyrimidinyl]methyl]benzoic acid IUPAC Name: 3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[6-amino-4-(2-furyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzoic acid Formula: C17H13N5O3 MolecularWeight: 335.31682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C3=NC(=NC(=C3C=N2)C4=CC=CO4)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C3=NC(=NC(=C3C=N2)C4=CC=CO4)N)C(=O)O

InChI

InChI=1S/C17H13N5O3/c18-17-20-14(13-5-2-6-25-13)12-8-19-22(15(12)21-17)9-10-3-1-4-11(7-10)16(23)24/h1-8H,9H2,(H,23,24)(H2,18,20,21)