[4-acetyloxy-5-[6-azanyl-2-oxidanylidene-1-(phenylcarbonyl)-4H-pyrimidin-3-yl]-2-(hydroxymethyl)thiolan-3-yl] ethanoate

Systemtic Name: [4-acetyloxy-5-[6-azanyl-2-oxidanylidene-1-(phenylcarbonyl)-4H-pyrimidin-3-yl]-2-(hydroxymethyl)thiolan-3-yl] ethanoate Openeye Name: [4-acetoxy-5-(6-amino-1-benzoyl-2-oxo-4H-pyrimidin-3-yl)-2-(hydroxymethyl)tetrahydrothiophen-3-yl] acetate CAS Name: acetic acid [4-acetyloxy-5-(6-amino-1-benzoyl-2-oxo-4H-pyrimidin-3-yl)-2-(hydroxymethyl)-3-thiolanyl] ester IUPAC Name: [4-acetyloxy-5-(6-amino-1-benzoyl-2-oxo-4H-pyrimidin-3-yl)-2-(hydroxymethyl)thiolan-3-yl] acetate Traditional Name: acetic acid [4-acetoxy-5-(6-amino-1-benzoyl-2-keto-4H-pyrimidin-3-yl)-2-methylol-tetrahydrothiophen-3-yl] ester Formula: C20H23N3O7S MolecularWeight: 449.47752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC(C1OC(=O)C)N2CC=C(N(C2=O)C(=O)C3=CC=CC=C3)N)CO

Isomeric SMILES

CC(=O)OC1C(SC(C1OC(=O)C)N2CC=C(N(C2=O)C(=O)C3=CC=CC=C3)N)CO

InChI

InChI=1S/C20H23N3O7S/c1-11(25)29-16-14(10-24)31-19(17(16)30-12(2)26)22-9-8-15(21)23(20(22)28)18(27)13-6-4-3-5-7-13/h3-8,14,16-17,19,24H,9-10,21H2,1-2H3