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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylmethoxycarbonylamino)-6-oxidanylidene-3H-purin-9-yl]ethanoic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-ylmethoxycarbonylamino)-6-oxo-3H-purin-9-yl]acetic acid CAS Name: 2-[2-[[1,3-benzodioxol-5-ylmethoxy(oxo)methyl]amino]-6-oxo-3H-purin-9-yl]acetic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylmethoxycarbonylamino)-6-oxo-3H-purin-9-yl]acetic acid Traditional Name: 2-[6-keto-2-(piperonyloxycarbonylamino)-3H-purin-9-yl]acetic acid Formula: C16H13N5O7 MolecularWeight: 387.30372

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COC(=O)NC3=NC(=O)C4=C(N3)N(C=N4)CC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC(=O)NC3=NC(=O)C4=C(N3)N(C=N4)CC(=O)O

InChI

InChI=1S/C16H13N5O7/c22-11(23)4-21-6-17-12-13(21)18-15(19-14(12)24)20-16(25)26-5-8-1-2-9-10(3-8)28-7-27-9/h1-3,6H,4-5,7H2,(H,22,23)(H2,18,19,20,24,25)