[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic 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-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C22H27ClN4O6 MolecularWeight: 478.92598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O6/c1-5-7-9-27-19-17(20(28)25-22(27)30)26(8-6-2)16(24-19)12-33-21(29)13-10-14(23)18(32-4)15(11-13)31-3/h10-11H,5-9,12H2,1-4H3,(H,25,28,30)