methyl 2-[[2-[4-(6-oxidanylidene-3H-purin-9-yl)but-2-enoxy]phenoxy]carbonylamino]propanoate

Systemtic Name: methyl 2-[[2-[4-(6-oxidanylidene-3H-purin-9-yl)but-2-enoxy]phenoxy]carbonylamino]propanoate Openeye Name: methyl 2-[[2-[4-(6-oxo-3H-purin-9-yl)but-2-enoxy]phenoxy]carbonylamino]propanoate CAS Name: 2-[[oxo-[2-[4-(6-oxo-3H-purin-9-yl)but-2-enoxy]phenoxy]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(6-oxo-3H-purin-9-yl)but-2-enoxy]phenoxy]carbonylamino]propanoate Traditional Name: 2-[[2-[4-(6-keto-3H-purin-9-yl)but-2-enoxy]phenoxy]carbonylamino]propionic acid methyl ester Formula: C20H21N5O6 MolecularWeight: 427.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)OC1=CC=CC=C1OCC=CCN2C=NC3=C2NC=NC3=O

Isomeric SMILES

CC(C(=O)OC)NC(=O)OC1=CC=CC=C1OCC=CCN2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C20H21N5O6/c1-13(19(27)29-2)24-20(28)31-15-8-4-3-7-14(15)30-10-6-5-9-25-12-23-16-17(25)21-11-22-18(16)26/h3-8,11-13H,9-10H2,1-2H3,(H,24,28)(H,21,22,26)