N-[7-nitro-2,4-bis(oxidanylidene)-6-[(2-oxidanyl-2-thiophen-2-yl-ethyl)amino]-1H-quinazolin-3-yl]methanesulfonamide

Systemtic Name: N-[7-nitro-2,4-bis(oxidanylidene)-6-[(2-oxidanyl-2-thiophen-2-yl-ethyl)amino]-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-[6-[[2-hydroxy-2-(2-thienyl)ethyl]amino]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide CAS Name: N-[6-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide IUPAC Name: N-[6-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide Traditional Name: N-[6-[[2-hydroxy-2-(2-thienyl)ethyl]amino]-2,4-diketo-7-nitro-1H-quinazolin-3-yl]methanesulfonamide Formula: C15H15N5O7S2 MolecularWeight: 441.4389

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])NCC(C3=CC=CS3)O

Isomeric SMILES

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])NCC(C3=CC=CS3)O

InChI

InChI=1S/C15H15N5O7S2/c1-29(26,27)18-19-14(22)8-5-10(16-7-12(21)13-3-2-4-28-13)11(20(24)25)6-9(8)17-15(19)23/h2-6,12,16,18,21H,7H2,1H3,(H,17,23)