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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 3-(2-chlorophenyl)propanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 3-(2-chlorophenyl)propanoate CAS Name: 3-(2-chlorophenyl)propanoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 3-(2-chlorophenyl)propanoate Traditional Name: 3-(2-chlorophenyl)propionic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C21H25ClN4O4 MolecularWeight: 432.9006

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O4/c1-3-5-12-26-19-18(20(28)24-21(26)29)25(4-2)16(23-19)13-30-17(27)11-10-14-8-6-7-9-15(14)22/h6-9H,3-5,10-13H2,1-2H3,(H,24,28,29)