[(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [(2R)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [(1R)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C17H15N5O5 MolecularWeight: 369.3315

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[C@H](C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C17H15N5O5/c1-9(16(23)22-15-13-14(19-7-18-13)20-8-21-15)27-17(24)10-2-3-11-12(6-10)26-5-4-25-11/h2-3,6-9H,4-5H2,1H3,(H2,18,19,20,21,22,23)/t9-/m1/s1