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

Systemtic Name: 9-chloranyl-7-(hydroxymethyl)-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one Openeye Name: 9-chloro-7-(hydroxymethyl)-2-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one CAS Name: 9-chloro-7-(hydroxymethyl)-2-sulfanylidene-1,5-dihydro[1]benzopyrano[2,3-d]pyrimidin-4-one IUPAC Name: 9-chloro-7-(hydroxymethyl)-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one Traditional Name: 9-chloro-7-methylol-2-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one Formula: C12H9ClN2O3S MolecularWeight: 296.72946

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC3=C1C(=O)NC(=S)N3)Cl)CO

Isomeric SMILES

C1C2=CC(=CC(=C2OC3=C1C(=O)NC(=S)N3)Cl)CO

InChI

InChI=1S/C12H9ClN2O3S/c13-8-2-5(4-16)1-6-3-7-10(17)14-12(19)15-11(7)18-9(6)8/h1-2,16H,3-4H2,(H2,14,15,17,19)