ethyl 2-[6-[(4-chlorophenyl)amino]purin-9-yl]ethanoate

Systemtic Name: ethyl 2-[6-[(4-chlorophenyl)amino]purin-9-yl]ethanoate Openeye Name: ethyl 2-[6-(4-chloroanilino)purin-9-yl]acetate CAS Name: 2-[6-(4-chloroanilino)-9-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(4-chloroanilino)purin-9-yl]acetate Traditional Name: 2-[6-(4-chloroanilino)purin-9-yl]acetic acid ethyl ester Formula: C15H14ClN5O2 MolecularWeight: 331.75696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=NC2=C1N=CN=C2NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)CN1C=NC2=C1N=CN=C2NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H14ClN5O2/c1-2-23-12(22)7-21-9-19-13-14(17-8-18-15(13)21)20-11-5-3-10(16)4-6-11/h3-6,8-9H,2,7H2,1H3,(H,17,18,20)