3-(7-azanyl-6-nitro-4-oxidanylidene-1H-quinazolin-2-yl)-N-(2-dimethylaminoethyl)-4-propoxy-benzenesulfonamide

Systemtic Name: 3-(7-azanyl-6-nitro-4-oxidanylidene-1H-quinazolin-2-yl)-N-(2-dimethylaminoethyl)-4-propoxy-benzenesulfonamide Openeye Name: 3-(7-amino-6-nitro-4-oxo-1H-quinazolin-2-yl)-N-(2-dimethylaminoethyl)-4-propoxy-benzenesulfonamide CAS Name: 3-(7-amino-6-nitro-4-oxo-1H-quinazolin-2-yl)-N-(2-dimethylaminoethyl)-4-propoxybenzenesulfonamide IUPAC Name: 3-(7-amino-6-nitro-4-oxo-1H-quinazolin-2-yl)-N-(2-dimethylaminoethyl)-4-propoxybenzenesulfonamide Traditional Name: 3-(7-amino-4-keto-6-nitro-1H-quinazolin-2-yl)-N-(2-dimethylaminoethyl)-4-propoxy-benzenesulfonamide Formula: C21H26N6O6S MolecularWeight: 490.53274

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCCN(C)C)C2=NC(=O)C3=CC(=C(C=C3N2)N)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCCN(C)C)C2=NC(=O)C3=CC(=C(C=C3N2)N)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O6S/c1-4-9-33-19-6-5-13(34(31,32)23-7-8-26(2)3)10-15(19)20-24-17-12-16(22)18(27(29)30)11-14(17)21(28)25-20/h5-6,10-12,23H,4,7-9,22H2,1-3H3,(H,24,25,28)