diethyl (3E)-2,2-bis(fluoranyl)-3-(5H-purin-6-ylmethylidene)butanedioate

Systemtic Name: diethyl (3E)-2,2-bis(fluoranyl)-3-(5H-purin-6-ylmethylidene)butanedioate Openeye Name: diethyl (3E)-2,2-difluoro-3-(5H-purin-6-ylmethylene)butanedioate CAS Name: (3E)-2,2-difluoro-3-(5H-purin-6-ylmethylidene)butanedioic acid diethyl ester IUPAC Name: diethyl (3E)-2,2-difluoro-3-(5H-purin-6-ylmethylidene)butanedioate Traditional Name: (3E)-2,2-difluoro-3-(5H-purin-6-ylmethylene)succinic acid diethyl ester Formula: C14H14F2N4O4 MolecularWeight: 340.282166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=NC=NC2=NC=NC12)C(C(=O)OCC)(F)F

Isomeric SMILES

CCOC(=O)/C(=C\C1=NC=NC2=NC=NC12)/C(C(=O)OCC)(F)F

InChI

InChI=1S/C14H14F2N4O4/c1-3-23-12(21)8(14(15,16)13(22)24-4-2)5-9-10-11(19-6-17-9)20-7-18-10/h5-7,10H,3-4H2,1-2H3/b8-5+