2-[2-[(diphenylmethyl)oxycarbonylamino]-6-oxidanylidene-3H-purin-9-yl]ethanoic acid

Systemtic Name: 2-[2-[(diphenylmethyl)oxycarbonylamino]-6-oxidanylidene-3H-purin-9-yl]ethanoic acid Openeye Name: 2-[2-(benzhydryloxycarbonylamino)-6-oxo-3H-purin-9-yl]acetic acid CAS Name: 2-[2-[[(diphenylmethyl)oxy-oxomethyl]amino]-6-oxo-3H-purin-9-yl]acetic acid IUPAC Name: 2-[2-(benzhydryloxycarbonylamino)-6-oxo-3H-purin-9-yl]acetic acid Traditional Name: 2-[2-(benzhydryloxycarbonylamino)-6-keto-3H-purin-9-yl]acetic acid Formula: C21H17N5O5 MolecularWeight: 419.39018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)NC3=NC(=O)C4=C(N3)N(C=N4)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)NC3=NC(=O)C4=C(N3)N(C=N4)CC(=O)O

InChI

InChI=1S/C21H17N5O5/c27-15(28)11-26-12-22-16-18(26)23-20(24-19(16)29)25-21(30)31-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,17H,11H2,(H,27,28)(H2,23,24,25,29,30)