[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2-azanyl-3-chloranyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2-azanyl-3-chloranyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 2-amino-3-chloro-benzoate CAS Name: 2-amino-3-chlorobenzoic 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-amino-3-chlorobenzoate Traditional Name: 2-amino-3-chloro-benzoic acid [2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C15H13ClN6O3 MolecularWeight: 360.75512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN6O3/c1-7(25-15(24)8-3-2-4-9(16)10(8)17)14(23)22-13-11-12(19-5-18-11)20-6-21-13/h2-7H,17H2,1H3,(H2,18,19,20,21,22,23)