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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3-(2-chlorophenyl)propanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 3-(2-chlorophenyl)propanoate CAS Name: 3-(2-chlorophenyl)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-(2-chlorophenyl)propanoate Traditional Name: 3-(2-chlorophenyl)propionic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C22H27ClN4O4 MolecularWeight: 446.92718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCC3=CC=CC=C3Cl)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCC3=CC=CC=C3Cl)CCC

InChI

InChI=1S/C22H27ClN4O4/c1-3-5-13-27-20-19(21(29)25-22(27)30)26(12-4-2)17(24-20)14-31-18(28)11-10-15-8-6-7-9-16(15)23/h6-9H,3-5,10-14H2,1-2H3,(H,25,29,30)