(4-methyl-2-oxidanylidene-chromen-7-yl) 3-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-8-yl]propanoate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 3-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-8-yl]propanoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 3-(7-butyl-2,6-dioxo-3-propyl-purin-8-yl)propanoate CAS Name: 3-(7-butyl-2,6-dioxo-3-propyl-8-purinyl)propanoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 3-(7-butyl-2,6-dioxo-3-propylpurin-8-yl)propanoate Traditional Name: 3-(7-butyl-2,6-diketo-3-propyl-purin-8-yl)propionic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C25H28N4O6 MolecularWeight: 480.51302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C

InChI

InChI=1S/C25H28N4O6/c1-4-6-12-28-19(26-23-22(28)24(32)27-25(33)29(23)11-5-2)9-10-20(30)34-16-7-8-17-15(3)13-21(31)35-18(17)14-16/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,27,32,33)