(phenylmethyl) 2-(2-azanyl-6-chloranyl-purin-9-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(2-azanyl-6-chloranyl-purin-9-yl)ethanoate Openeye Name: benzyl 2-(2-amino-6-chloro-purin-9-yl)acetate CAS Name: 2-(2-amino-6-chloro-9-purinyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-amino-6-chloropurin-9-yl)acetate Traditional Name: 2-(2-amino-6-chloro-purin-9-yl)acetic acid benzyl ester Formula: C14H12ClN5O2 MolecularWeight: 317.73038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CN2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CN2C=NC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C14H12ClN5O2/c15-12-11-13(19-14(16)18-12)20(8-17-11)6-10(21)22-7-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,16,18,19)