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

Systemtic Name: [5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(thiocyanatomethyl)oxolan-3-yl] ethanoate Openeye Name: [5-(2,4-dioxopyrimidin-1-yl)-2-(thiocyanatomethyl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [5-(2,4-dioxo-1-pyrimidinyl)-2-(thiocyanatomethyl)-3-oxolanyl] ester IUPAC Name: [5-(2,4-dioxopyrimidin-1-yl)-2-(thiocyanatomethyl)oxolan-3-yl] acetate Traditional Name: acetic acid [5-(2,4-diketopyrimidin-1-yl)-2-(thiocyanatomethyl)tetrahydrofuran-3-yl] ester Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(OC1CSC#N)N2C=CC(=O)NC2=O

Isomeric SMILES

CC(=O)OC1CC(OC1CSC#N)N2C=CC(=O)NC2=O

InChI

InChI=1S/C12H13N3O5S/c1-7(16)19-8-4-11(20-9(8)5-21-6-13)15-3-2-10(17)14-12(15)18/h2-3,8-9,11H,4-5H2,1H3,(H,14,17,18)