[(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 3-(2-chlorophenyl)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 3-(2-chlorophenyl)propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 3-(2-chlorophenyl)propanoate CAS Name: 3-(2-chlorophenyl)propanoic 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] 3-(2-chlorophenyl)propanoate Traditional Name: 3-(2-chlorophenyl)propionic acid [(1S)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C17H16ClN5O3 MolecularWeight: 373.79364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)CCC3=CC=CC=C3Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)CCC3=CC=CC=C3Cl

InChI

InChI=1S/C17H16ClN5O3/c1-10(26-13(24)7-6-11-4-2-3-5-12(11)18)17(25)23-16-14-15(20-8-19-14)21-9-22-16/h2-5,8-10H,6-7H2,1H3,(H2,19,20,21,22,23,25)/t10-/m0/s1