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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3-chloranylbenzoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic 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-chlorobenzoate Traditional Name: 3-chlorobenzoic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C20H23ClN4O4 MolecularWeight: 418.87402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O4/c1-3-5-10-25-17-16(18(26)23-20(25)28)24(9-4-2)15(22-17)12-29-19(27)13-7-6-8-14(21)11-13/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,23,26,28)