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

Systemtic Name: 2-[2-azanyl-6-(phenylmethoxycarbonylamino)purin-9-yl]ethanoic acid Openeye Name: 2-[2-amino-6-(benzyloxycarbonylamino)purin-9-yl]acetic acid CAS Name: 2-[2-amino-6-(phenylmethoxycarbonylamino)-9-purinyl]acetic acid IUPAC Name: 2-[2-amino-6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid Traditional Name: 2-[2-amino-6-(benzyloxycarbonylamino)purin-9-yl]acetic acid Formula: C15H14N6O4 MolecularWeight: 342.30946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N6O4/c16-14-18-12(11-13(20-14)21(8-17-11)6-10(22)23)19-15(24)25-7-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,22,23)(H3,16,18,19,20,24)