[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanoic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-phthalimidopropionic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C24H27N5O6 MolecularWeight: 481.50108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCN3C(=O)C4=CC=CC=C4C3=O)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCN3C(=O)C4=CC=CC=C4C3=O)CCC

InChI

InChI=1S/C24H27N5O6/c1-3-5-12-28-20-19(21(31)26-24(28)34)27(11-4-2)17(25-20)14-35-18(30)10-13-29-22(32)15-8-6-7-9-16(15)23(29)33/h6-9H,3-5,10-14H2,1-2H3,(H,26,31,34)