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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-chloranyl-6-fluoranyl-benzoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C18H18ClFN4O4 MolecularWeight: 408.811323

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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=C3Cl)F)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C=CC=C3Cl)F)C

InChI

InChI=1S/C18H18ClFN4O4/c1-3-4-8-24-15-14(16(25)22-18(24)27)23(2)12(21-15)9-28-17(26)13-10(19)6-5-7-11(13)20/h5-7H,3-4,8-9H2,1-2H3,(H,22,25,27)