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

Systemtic Name: N-[7-nitro-2,4-bis(oxidanylidene)-6-(propan-2-ylamino)-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-[6-(isopropylamino)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide CAS Name: N-[7-nitro-2,4-dioxo-6-(propan-2-ylamino)-1H-quinazolin-3-yl]methanesulfonamide IUPAC Name: N-[7-nitro-2,4-dioxo-6-(propan-2-ylamino)-1H-quinazolin-3-yl]methanesulfonamide Traditional Name: N-[6-(isopropylamino)-2,4-diketo-7-nitro-1H-quinazolin-3-yl]methanesulfonamide Formula: C12H15N5O6S MolecularWeight: 357.3424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)NS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)NS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O6S/c1-6(2)13-9-4-7-8(5-10(9)17(20)21)14-12(19)16(11(7)18)15-24(3,22)23/h4-6,13,15H,1-3H3,(H,14,19)