[5-[2,4-bis(oxidanylidene)-5-thiocyanato-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl ethanoate

Systemtic Name: [5-[2,4-bis(oxidanylidene)-5-thiocyanato-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl ethanoate Openeye Name: [5-(2,4-dioxo-5-thiocyanato-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [5-(2,4-dioxo-5-thiocyanato-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(2,4-dioxo-5-thiocyanatopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [5-(2,4-diketo-5-thiocyanato-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C12H13N3O6S MolecularWeight: 327.31312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)SC#N)O

Isomeric SMILES

CC(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)SC#N)O

InChI

InChI=1S/C12H13N3O6S/c1-6(16)20-4-8-7(17)2-10(21-8)15-3-9(22-5-13)11(18)14-12(15)19/h3,7-8,10,17H,2,4H2,1H3,(H,14,18,19)