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

Systemtic Name: N-[7-nitro-2,4-bis(oxidanylidene)-6-[(phenylmethyl)amino]-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-[6-(benzylamino)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide CAS Name: N-[7-nitro-2,4-dioxo-6-[(phenylmethyl)amino]-1H-quinazolin-3-yl]methanesulfonamide IUPAC Name: N-[6-(benzylamino)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide Traditional Name: N-[6-(benzylamino)-2,4-diketo-7-nitro-1H-quinazolin-3-yl]methanesulfonamide Formula: C16H15N5O6S MolecularWeight: 405.3852

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C16H15N5O6S/c1-28(26,27)19-20-15(22)11-7-13(17-9-10-5-3-2-4-6-10)14(21(24)25)8-12(11)18-16(20)23/h2-8,17,19H,9H2,1H3,(H,18,23)