2-[6-chloranyl-2-(phenylmethoxycarbonylamino)purin-9-yl]ethanoic acid

Systemtic Name: 2-[6-chloranyl-2-(phenylmethoxycarbonylamino)purin-9-yl]ethanoic acid Openeye Name: 2-[2-(benzyloxycarbonylamino)-6-chloro-purin-9-yl]acetic acid CAS Name: 2-[6-chloro-2-(phenylmethoxycarbonylamino)-9-purinyl]acetic acid IUPAC Name: 2-[6-chloro-2-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid Traditional Name: 2-[2-(benzyloxycarbonylamino)-6-chloro-purin-9-yl]acetic acid Formula: C15H12ClN5O4 MolecularWeight: 361.73988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=NC3=C(C(=N2)Cl)N=CN3CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=NC3=C(C(=N2)Cl)N=CN3CC(=O)O

InChI

InChI=1S/C15H12ClN5O4/c16-12-11-13(21(8-17-11)6-10(22)23)19-14(18-12)20-15(24)25-7-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,22,23)(H,18,19,20,24)