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

Systemtic Name: N-[6-(cyclopropylmethylamino)-7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-[6-(cyclopropylmethylamino)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide CAS Name: N-[6-(cyclopropylmethylamino)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide IUPAC Name: N-[6-(cyclopropylmethylamino)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide Traditional Name: N-[6-(cyclopropylmethylamino)-2,4-diketo-7-nitro-1H-quinazolin-3-yl]methanesulfonamide Formula: C13H15N5O6S MolecularWeight: 369.3531

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])NCC3CC3

Isomeric SMILES

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])NCC3CC3

InChI

InChI=1S/C13H15N5O6S/c1-25(23,24)16-17-12(19)8-4-10(14-6-7-2-3-7)11(18(21)22)5-9(8)15-13(17)20/h4-5,7,14,16H,2-3,6H2,1H3,(H,15,20)