[azanyl-[(7-methoxy-4-methyl-quinazolin-2-yl)amino]methylidene]-(4-nitrophenyl)sulfonyl-azanium

Systemtic Name: [azanyl-[(7-methoxy-4-methyl-quinazolin-2-yl)amino]methylidene]-(4-nitrophenyl)sulfonyl-azanium Openeye Name: [amino-[(7-methoxy-4-methyl-quinazolin-2-yl)amino]methylene]-(4-nitrophenyl)sulfonyl-ammonium CAS Name: [amino-[(7-methoxy-4-methyl-2-quinazolinyl)amino]methylidene]-(4-nitrophenyl)sulfonylammonium IUPAC Name: [amino-[(7-methoxy-4-methylquinazolin-2-yl)amino]methylidene]-(4-nitrophenyl)sulfonylazanium Traditional Name: [amino-[(7-methoxy-4-methyl-quinazolin-2-yl)amino]methylene]-nosyl-ammonium Formula: C17H17N6O5S+ MolecularWeight: 417.41908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)OC)NC(=[NH+]S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)OC)NC(=[NH+]S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H16N6O5S/c1-10-14-8-5-12(28-2)9-15(14)20-17(19-10)21-16(18)22-29(26,27)13-6-3-11(4-7-13)23(24)25/h3-9H,1-2H3,(H3,18,19,20,21,22)/p+1