3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-(5-phenylfuran-2-yl)propanoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-(5-phenylfuran-2-yl)propanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 3-(5-phenyl-2-furyl)propanoate CAS Name: 3-(5-phenyl-2-furanyl)propanoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 3-(5-phenylfuran-2-yl)propanoate Traditional Name: 3-(5-phenyl-2-furyl)propionic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C23H24N4O5 MolecularWeight: 436.46046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)CCC3=CC=C(O3)C4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)CCC3=CC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O5/c1-25-15-24-21-20(25)22(29)27(23(30)26(21)2)13-6-14-31-19(28)12-10-17-9-11-18(32-17)16-7-4-3-5-8-16/h3-5,7-9,11,15H,6,10,12-14H2,1-2H3