2-[3-(2-azanyl-6-chloranyl-purin-9-yl)oxiran-2-yl]ethyl benzoate

Systemtic Name: 2-[3-(2-azanyl-6-chloranyl-purin-9-yl)oxiran-2-yl]ethyl benzoate Openeye Name: 2-[3-(2-amino-6-chloro-purin-9-yl)oxiran-2-yl]ethyl benzoate CAS Name: benzoic acid 2-[3-(2-amino-6-chloro-9-purinyl)-2-oxiranyl]ethyl ester IUPAC Name: 2-[3-(2-amino-6-chloropurin-9-yl)oxiran-2-yl]ethyl benzoate Traditional Name: benzoic acid 2-[3-(2-amino-6-chloro-purin-9-yl)oxiran-2-yl]ethyl ester Formula: C16H14ClN5O3 MolecularWeight: 359.76706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCC2C(O2)N3C=NC4=C3N=C(N=C4Cl)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCC2C(O2)N3C=NC4=C3N=C(N=C4Cl)N

InChI

InChI=1S/C16H14ClN5O3/c17-12-11-13(21-16(18)20-12)22(8-19-11)14-10(25-14)6-7-24-15(23)9-4-2-1-3-5-9/h1-5,8,10,14H,6-7H2,(H2,18,20,21)