2-[2-[(3,4-dimethoxyphenyl)methoxycarbonylamino]-6-oxidanylidene-3H-purin-9-yl]ethanoic acid

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)methoxycarbonylamino]-6-oxidanylidene-3H-purin-9-yl]ethanoic acid Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)methoxycarbonylamino]-6-oxo-3H-purin-9-yl]acetic acid CAS Name: 2-[2-[[(3,4-dimethoxyphenyl)methoxy-oxomethyl]amino]-6-oxo-3H-purin-9-yl]acetic acid IUPAC Name: 2-[2-[(3,4-dimethoxyphenyl)methoxycarbonylamino]-6-oxo-3H-purin-9-yl]acetic acid Traditional Name: 2-[6-keto-2-(veratryloxycarbonylamino)-3H-purin-9-yl]acetic acid Formula: C17H17N5O7 MolecularWeight: 403.34618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)NC2=NC(=O)C3=C(N2)N(C=N3)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)NC2=NC(=O)C3=C(N2)N(C=N3)CC(=O)O)OC

InChI

InChI=1S/C17H17N5O7/c1-27-10-4-3-9(5-11(10)28-2)7-29-17(26)21-16-19-14-13(15(25)20-16)18-8-22(14)6-12(23)24/h3-5,8H,6-7H2,1-2H3,(H,23,24)(H2,19,20,21,25,26)