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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-fluoranylbenzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 4-fluorobenzoate CAS Name: 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 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C17H17FN4O4 MolecularWeight: 360.339683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN4O4/c1-20-10-19-14-13(20)15(23)22(17(25)21(14)2)8-3-9-26-16(24)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3