3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-chloranyl-4-fluoranyl-benzoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-chloranyl-4-fluoranyl-benzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-chloro-4-fluoro-benzoate CAS Name: 2-chloro-4-fluorobenzoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 2-chloro-4-fluorobenzoate Traditional Name: 2-chloro-4-fluoro-benzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C17H16ClFN4O4 MolecularWeight: 394.784743

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C17H16ClFN4O4/c1-21-9-20-14-13(21)15(24)23(17(26)22(14)2)6-3-7-27-16(25)11-5-4-10(19)8-12(11)18/h4-5,8-9H,3,6-7H2,1-2H3