ethyl 4-[(2-chloranyl-7H-purin-6-yl)amino]benzoate

Systemtic Name: ethyl 4-[(2-chloranyl-7H-purin-6-yl)amino]benzoate Openeye Name: ethyl 4-[(2-chloro-7H-purin-6-yl)amino]benzoate CAS Name: 4-[(2-chloro-7H-purin-6-yl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloro-7H-purin-6-yl)amino]benzoate Traditional Name: 4-[(2-chloro-7H-purin-6-yl)amino]benzoic acid ethyl ester Formula: C14H12ClN5O2 MolecularWeight: 317.73038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C14H12ClN5O2/c1-2-22-13(21)8-3-5-9(6-4-8)18-12-10-11(17-7-16-10)19-14(15)20-12/h3-7H,2H2,1H3,(H2,16,17,18,19,20)