[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4-bromanylbenzoate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4-bromanylbenzoate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C15H12BrN5O3 MolecularWeight: 390.19148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrN5O3/c1-8(24-15(23)9-2-4-10(16)5-3-9)14(22)21-13-11-12(18-6-17-11)19-7-20-13/h2-8H,1H3,(H2,17,18,19,20,21,22)