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

Systemtic Name: 2-[6-(phenylmethoxycarbonylamino)purin-9-yl]ethanoic acid Openeye Name: 2-[6-(benzyloxycarbonylamino)purin-9-yl]acetic acid CAS Name: 2-[6-(phenylmethoxycarbonylamino)-9-purinyl]acetic acid IUPAC Name: 2-[6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid Traditional Name: 2-[6-(benzyloxycarbonylamino)purin-9-yl]acetic acid Formula: C15H13N5O4 MolecularWeight: 327.29482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=NC=NC3=C2N=CN3CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=NC=NC3=C2N=CN3CC(=O)O

InChI

InChI=1S/C15H13N5O4/c21-11(22)6-20-9-18-12-13(16-8-17-14(12)20)19-15(23)24-7-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,21,22)(H,16,17,19,23)