1-[5-fluoranyl-3-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2,6-bis(oxidanylidene)pyrimidin-1-yl]-3-(4-methoxyphenyl)thiourea

Systemtic Name: 1-[5-fluoranyl-3-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2,6-bis(oxidanylidene)pyrimidin-1-yl]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-fluoro-2,6-dioxo-pyrimidin-1-yl]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-fluoro-2,6-dioxo-1-pyrimidinyl]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-2,6-dioxopyrimidin-1-yl]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-5-fluoro-2,6-diketo-pyrimidin-1-yl]-3-(4-methoxyphenyl)thiourea Formula: C17H19FN4O7S MolecularWeight: 442.418763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NN2C(=O)C(=CN(C2=O)C3C(C(C(O3)CO)O)O)F

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NN2C(=O)C(=CN(C2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F

InChI

InChI=1S/C17H19FN4O7S/c1-28-9-4-2-8(3-5-9)19-16(30)20-22-14(26)10(18)6-21(17(22)27)15-13(25)12(24)11(7-23)29-15/h2-6,11-13,15,23-25H,7H2,1H3,(H2,19,20,30)/t11-,12-,13-,15-/m1/s1