2-[(2-methyl-7-nitro-4-oxidanylidene-1H-quinazolin-6-yl)-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate

Systemtic Name: 2-[(2-methyl-7-nitro-4-oxidanylidene-1H-quinazolin-6-yl)-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate Openeye Name: 2-[(2-methyl-7-nitro-4-oxo-1H-quinazolin-6-yl)-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[(2-methyl-7-nitro-4-oxo-1H-quinazolin-6-yl)-(2-methylsulfonyloxyethyl)amino]ethyl ester IUPAC Name: 2-[(2-methyl-7-nitro-4-oxo-1H-quinazolin-6-yl)-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[(4-keto-2-methyl-7-nitro-1H-quinazolin-6-yl)-(2-methylsulfonyloxyethyl)amino]ethyl ester Formula: C15H20N4O9S2 MolecularWeight: 464.4707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=CC(=C(C=C2N1)[N+](=O)[O-])N(CCOS(=O)(=O)C)CCOS(=O)(=O)C

Isomeric SMILES

CC1=NC(=O)C2=CC(=C(C=C2N1)[N+](=O)[O-])N(CCOS(=O)(=O)C)CCOS(=O)(=O)C

InChI

InChI=1S/C15H20N4O9S2/c1-10-16-12-9-14(19(21)22)13(8-11(12)15(20)17-10)18(4-6-27-29(2,23)24)5-7-28-30(3,25)26/h8-9H,4-7H2,1-3H3,(H,16,17,20)