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

Systemtic Name: N-[6-[(4-methoxyphenyl)methylamino]-7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-[6-[(4-methoxyphenyl)methylamino]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide CAS Name: N-[6-[(4-methoxyphenyl)methylamino]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide IUPAC Name: N-[6-[(4-methoxyphenyl)methylamino]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide Traditional Name: N-[2,4-diketo-7-nitro-6-(p-anisylamino)-1H-quinazolin-3-yl]methanesulfonamide Formula: C17H17N5O7S MolecularWeight: 435.41118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=C(C=C3C(=C2)C(=O)N(C(=O)N3)NS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=C(C=C3C(=C2)C(=O)N(C(=O)N3)NS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O7S/c1-29-11-5-3-10(4-6-11)9-18-14-7-12-13(8-15(14)22(25)26)19-17(24)21(16(12)23)20-30(2,27)28/h3-8,18,20H,9H2,1-2H3,(H,19,24)