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

Systemtic Name: 2-[6-[(3,4-dimethoxyphenyl)methoxycarbonylamino]purin-9-yl]ethanoic acid Openeye Name: 2-[6-[(3,4-dimethoxyphenyl)methoxycarbonylamino]purin-9-yl]acetic acid CAS Name: 2-[6-[[(3,4-dimethoxyphenyl)methoxy-oxomethyl]amino]-9-purinyl]acetic acid IUPAC Name: 2-[6-[(3,4-dimethoxyphenyl)methoxycarbonylamino]purin-9-yl]acetic acid Traditional Name: 2-[6-(veratryloxycarbonylamino)purin-9-yl]acetic acid Formula: C17H17N5O6 MolecularWeight: 387.34678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)NC2=NC=NC3=C2N=CN3CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)NC2=NC=NC3=C2N=CN3CC(=O)O)OC

InChI

InChI=1S/C17H17N5O6/c1-26-11-4-3-10(5-12(11)27-2)7-28-17(25)21-15-14-16(19-8-18-15)22(9-20-14)6-13(23)24/h3-5,8-9H,6-7H2,1-2H3,(H,23,24)(H,18,19,21,25)