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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-(4-chlorophenyl)ethanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-(4-chlorophenyl)acetate CAS Name: 2-(4-chlorophenyl)acetic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 2-(4-chlorophenyl)acetate Traditional Name: 2-(4-chlorophenyl)acetic acid (3-butyl-2,6-diketo-7-propyl-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)CC3=CC=C(C=C3)Cl)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CC3=CC=C(C=C3)Cl)CCC

InChI

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