[(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 1-benzofuran-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [(2S)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [(1S)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C17H13N5O4 MolecularWeight: 351.31622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C17H13N5O4/c1-9(16(23)22-15-13-14(19-7-18-13)20-8-21-15)25-17(24)12-6-10-4-2-3-5-11(10)26-12/h2-9H,1H3,(H2,18,19,20,21,22,23)/t9-/m0/s1