3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(2-oxidanylidenechromen-7-yl)oxyethanoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(2-oxidanylidenechromen-7-yl)oxyethanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-(2-oxochromen-7-yl)oxyacetate CAS Name: 2-[(2-oxo-1-benzopyran-7-yl)oxy]acetic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 2-(2-oxochromen-7-yl)oxyacetate Traditional Name: 2-(2-ketochromen-7-yl)oxyacetic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C21H20N4O7 MolecularWeight: 440.4061

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

InChI

InChI=1S/C21H20N4O7/c1-23-12-22-19-18(23)20(28)25(21(29)24(19)2)8-3-9-30-17(27)11-31-14-6-4-13-5-7-16(26)32-15(13)10-14/h4-7,10,12H,3,8-9,11H2,1-2H3