5-chloranyl-4-[5-(hydroxymethyl)-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]thiophene-2-carboxylic acid

Systemtic Name: 5-chloranyl-4-[5-(hydroxymethyl)-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]thiophene-2-carboxylic acid Openeye Name: 5-chloro-4-[5-(hydroxymethyl)-2,4-dioxo-1H-quinazolin-3-yl]thiophene-2-carboxylic acid CAS Name: 5-chloro-4-[5-(hydroxymethyl)-2,4-dioxo-1H-quinazolin-3-yl]-2-thiophenecarboxylic acid IUPAC Name: 5-chloro-4-[5-(hydroxymethyl)-2,4-dioxo-1H-quinazolin-3-yl]thiophene-2-carboxylic acid Traditional Name: 5-chloro-4-(2,4-diketo-5-methylol-1H-quinazolin-3-yl)-2-thenoic acid Formula: C14H9ClN2O5S MolecularWeight: 352.74966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)NC(=O)N(C2=O)C3=C(SC(=C3)C(=O)O)Cl)CO

Isomeric SMILES

C1=CC(=C2C(=C1)NC(=O)N(C2=O)C3=C(SC(=C3)C(=O)O)Cl)CO

InChI

InChI=1S/C14H9ClN2O5S/c15-11-8(4-9(23-11)13(20)21)17-12(19)10-6(5-18)2-1-3-7(10)16-14(17)22/h1-4,18H,5H2,(H,16,22)(H,20,21)