7-(hydroxymethyl)-9-nitro-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one

Systemtic Name: 7-(hydroxymethyl)-9-nitro-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one Openeye Name: 7-(hydroxymethyl)-9-nitro-2-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one CAS Name: 7-(hydroxymethyl)-9-nitro-2-sulfanylidene-1,5-dihydro[1]benzopyrano[2,3-d]pyrimidin-4-one IUPAC Name: 7-(hydroxymethyl)-9-nitro-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one Traditional Name: 7-methylol-9-nitro-2-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one Formula: C12H9N3O5S MolecularWeight: 307.28196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC3=C1C(=O)NC(=S)N3)[N+](=O)[O-])CO

Isomeric SMILES

C1C2=CC(=CC(=C2OC3=C1C(=O)NC(=S)N3)[N+](=O)[O-])CO

InChI

InChI=1S/C12H9N3O5S/c16-4-5-1-6-3-7-10(17)13-12(21)14-11(7)20-9(6)8(2-5)15(18)19/h1-2,16H,3-4H2,(H2,13,14,17,21)