2-[6-(1,3-benzodioxol-5-ylmethoxycarbonylamino)purin-9-yl]ethanoic acid

Systemtic Name: 2-[6-(1,3-benzodioxol-5-ylmethoxycarbonylamino)purin-9-yl]ethanoic acid Openeye Name: 2-[6-(1,3-benzodioxol-5-ylmethoxycarbonylamino)purin-9-yl]acetic acid CAS Name: 2-[6-[[1,3-benzodioxol-5-ylmethoxy(oxo)methyl]amino]-9-purinyl]acetic acid IUPAC Name: 2-[6-(1,3-benzodioxol-5-ylmethoxycarbonylamino)purin-9-yl]acetic acid Traditional Name: 2-[6-(piperonyloxycarbonylamino)purin-9-yl]acetic acid Formula: C16H13N5O6 MolecularWeight: 371.30432

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COC(=O)NC3=NC=NC4=C3N=CN4CC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC(=O)NC3=NC=NC4=C3N=CN4CC(=O)O

InChI

InChI=1S/C16H13N5O6/c22-12(23)4-21-7-19-13-14(17-6-18-15(13)21)20-16(24)25-5-9-1-2-10-11(3-9)27-8-26-10/h1-3,6-7H,4-5,8H2,(H,22,23)(H,17,18,20,24)