[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2-phenoxyethanoate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2-phenoxyethanoate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C16H15N5O4/c1-10(25-12(22)7-24-11-5-3-2-4-6-11)16(23)21-15-13-14(18-8-17-13)19-9-20-15/h2-6,8-10H,7H2,1H3,(H2,17,18,19,20,21,23)