[5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-4-iodanyl-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-4-iodanyl-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [5-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)-4-iodo-3-(4-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-(4-amino-5-fluoro-2-oxo-1-pyrimidinyl)-4-iodo-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-iodo-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [5-(4-amino-5-fluoro-2-keto-pyrimidin-1-yl)-4-iodo-3-p-toluoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C25H23FIN3O6 MolecularWeight: 607.369493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=C(C(=NC3=O)N)F)I)OC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=C(C(=NC3=O)N)F)I)OC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H23FIN3O6/c1-13-3-7-15(8-4-13)23(31)34-12-18-20(36-24(32)16-9-5-14(2)6-10-16)19(27)22(35-18)30-11-17(26)21(28)29-25(30)33/h3-11,18-20,22H,12H2,1-2H3,(H2,28,29,33)