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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 5-chloranyl-2-oxidanyl-benzoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 5-chloro-2-hydroxy-benzoate CAS Name: 5-chloro-2-hydroxybenzoic 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-hydroxybenzoate Traditional Name: 5-chloro-2-hydroxy-benzoic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C19H21ClN4O5 MolecularWeight: 420.84684

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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)O)CC

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O5/c1-3-5-8-24-16-15(17(26)22-19(24)28)23(4-2)14(21-16)10-29-18(27)12-9-11(20)6-7-13(12)25/h6-7,9,25H,3-5,8,10H2,1-2H3,(H,22,26,28)