[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 5-chloranyl-2-methoxy-benzoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 5-chloranyl-2-methoxy-benzoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 5-chloro-2-methoxy-benzoate CAS Name: 5-chloro-2-methoxybenzoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 5-chloro-2-methoxybenzoate Traditional Name: 5-chloro-2-methoxy-benzoic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C20H23ClN4O5 MolecularWeight: 434.87342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O5/c1-4-6-9-25-17-16(18(26)23-20(25)28)24(5-2)15(22-17)11-30-19(27)13-10-12(21)7-8-14(13)29-3/h7-8,10H,4-6,9,11H2,1-3H3,(H,23,26,28)