[(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 1-ethylindole-3-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 1-ethylindole-3-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 1-ethylindole-3-carboxylate CAS Name: 1-ethyl-3-indolecarboxylic 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] 1-ethylindole-3-carboxylate Traditional Name: 1-ethylindole-3-carboxylic acid [(1R)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C19H18N6O3 MolecularWeight: 378.38462

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(=O)OC(C)C(=O)NC3=NC=NC4=C3NC=N4

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C(=O)O[C@H](C)C(=O)NC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C19H18N6O3/c1-3-25-8-13(12-6-4-5-7-14(12)25)19(27)28-11(2)18(26)24-17-15-16(21-9-20-15)22-10-23-17/h4-11H,3H2,1-2H3,(H2,20,21,22,23,24,26)/t11-/m1/s1