ethyl 3-[2-[(2-chloranyl-7H-purin-6-yl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[(2-chloranyl-7H-purin-6-yl)amino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(2-chloro-7H-purin-6-yl)amino]acetyl]amino]benzoate CAS Name: 3-[[2-[(2-chloro-7H-purin-6-yl)amino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(2-chloro-7H-purin-6-yl)amino]acetyl]amino]benzoate Traditional Name: 3-[[2-[(2-chloro-7H-purin-6-yl)amino]acetyl]amino]benzoic acid ethyl ester Formula: C16H15ClN6O3 MolecularWeight: 374.7817

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CNC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C16H15ClN6O3/c1-2-26-15(25)9-4-3-5-10(6-9)21-11(24)7-18-13-12-14(20-8-19-12)23-16(17)22-13/h3-6,8H,2,7H2,1H3,(H,21,24)(H2,18,19,20,22,23)