4-oxidanylidene-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H18N4O5S2 MolecularWeight: 446.50002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C19H18N4O5S2/c24-16-6-4-12(30(27,28)23-7-1-2-8-23)10-15(16)20-17(25)11-3-5-13-14(9-11)21-19(29)22-18(13)26/h3-6,9-10,24H,1-2,7-8H2,(H,20,25)(H2,21,22,26,29)