[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 1-(4-chlorophenyl)cyclopropanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclopropanecarboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclopropanecarboxylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3(CC3)C4=CC=C(C=C4)Cl)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3(CC3)C4=CC=C(C=C4)Cl)CC

InChI

InChI=1S/C22H25ClN4O4/c1-3-5-12-27-18-17(19(28)25-21(27)30)26(4-2)16(24-18)13-31-20(29)22(10-11-22)14-6-8-15(23)9-7-14/h6-9H,3-5,10-13H2,1-2H3,(H,25,28,30)