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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoate CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoate Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C22H22N4O6/c1-4-13-5-6-15-14(10-18(28)32-16(15)9-13)11-31-17(27)7-8-26-12-23-20-19(26)21(29)25(3)22(30)24(20)2/h5-6,9-10,12H,4,7-8,11H2,1-3H3