[azanyl-[(4-methylquinazolin-2-yl)amino]methylidene]-(4-nitrophenyl)sulfonyl-azanium

Systemtic Name: [azanyl-[(4-methylquinazolin-2-yl)amino]methylidene]-(4-nitrophenyl)sulfonyl-azanium Openeye Name: [amino-[(4-methylquinazolin-2-yl)amino]methylene]-(4-nitrophenyl)sulfonyl-ammonium CAS Name: [amino-[(4-methyl-2-quinazolinyl)amino]methylidene]-(4-nitrophenyl)sulfonylammonium IUPAC Name: [amino-[(4-methylquinazolin-2-yl)amino]methylidene]-(4-nitrophenyl)sulfonylazanium Traditional Name: [amino-[(4-methylquinazolin-2-yl)amino]methylene]-nosyl-ammonium Formula: C16H15N6O4S+ MolecularWeight: 387.3931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=CC=CC=C12)NC(=[NH+]S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CC1=NC(=NC2=CC=CC=C12)NC(=[NH+]S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C16H14N6O4S/c1-10-13-4-2-3-5-14(13)19-16(18-10)20-15(17)21-27(25,26)12-8-6-11(7-9-12)22(23)24/h2-9H,1H3,(H3,17,18,19,20,21)/p+1