(4-iodophenyl) 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate

Systemtic Name: (4-iodophenyl) 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate Openeye Name: (4-iodophenyl) 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoate CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanoic acid (4-iodophenyl) ester IUPAC Name: (4-iodophenyl) 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoate Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionic acid (4-iodophenyl) ester Formula: C16H15IN4O4 MolecularWeight: 454.21917

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)OC3=CC=C(C=C3)I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)OC3=CC=C(C=C3)I

InChI

InChI=1S/C16H15IN4O4/c1-19-14-13(15(23)20(2)16(19)24)21(9-18-14)8-7-12(22)25-11-5-3-10(17)4-6-11/h3-6,9H,7-8H2,1-2H3