2-(1H-imidazol-5-yl)-N-[3-(methylsulfonylamino)-7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-6-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-(1H-imidazol-5-yl)-N-[3-(methylsulfonylamino)-7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-6-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-(1H-imidazol-5-yl)-N-[3-(methanesulfonamido)-7-nitro-2,4-dioxo-1H-quinazolin-6-yl]acetamide CAS Name: 2-(1H-imidazol-5-yl)-N-[3-(methanesulfonamido)-7-nitro-2,4-dioxo-1H-quinazolin-6-yl]-N-prop-2-enylacetamide IUPAC Name: 2-(1H-imidazol-5-yl)-N-[3-(methanesulfonamido)-7-nitro-2,4-dioxo-1H-quinazolin-6-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-N-[2,4-diketo-3-(methanesulfonamido)-7-nitro-1H-quinazolin-6-yl]-2-(1H-imidazol-5-yl)acetamide Formula: C17H17N7O7S MolecularWeight: 463.42458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])N(CC=C)C(=O)CC3=CN=CN3

Isomeric SMILES

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])N(CC=C)C(=O)CC3=CN=CN3

InChI

InChI=1S/C17H17N7O7S/c1-3-4-22(15(25)5-10-8-18-9-19-10)13-6-11-12(7-14(13)24(28)29)20-17(27)23(16(11)26)21-32(2,30)31/h3,6-9,21H,1,4-5H2,2H3,(H,18,19)(H,20,27)