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

Systemtic Name: N-[6-(1-methoxypropan-2-ylamino)-7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-[6-[(2-methoxy-1-methyl-ethyl)amino]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide CAS Name: N-[6-(1-methoxypropan-2-ylamino)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide IUPAC Name: N-[6-(1-methoxypropan-2-ylamino)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide Traditional Name: N-[2,4-diketo-6-[(2-methoxy-1-methyl-ethyl)amino]-7-nitro-1H-quinazolin-3-yl]methanesulfonamide Formula: C13H17N5O7S MolecularWeight: 387.36838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O7S/c1-7(6-25-2)14-10-4-8-9(5-11(10)18(21)22)15-13(20)17(12(8)19)16-26(3,23)24/h4-5,7,14,16H,6H2,1-3H3,(H,15,20)