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

Systemtic Name: N-[6-[bis(2-hydroxyethyl)amino]-7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-[6-[bis(2-hydroxyethyl)amino]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide CAS Name: N-[6-[bis(2-hydroxyethyl)amino]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide IUPAC Name: N-[6-[bis(2-hydroxyethyl)amino]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide Traditional Name: N-[6-[bis(2-hydroxyethyl)amino]-2,4-diketo-7-nitro-1H-quinazolin-3-yl]methanesulfonamide Formula: C13H17N5O8S MolecularWeight: 403.36778

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])N(CCO)CCO

Isomeric SMILES

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])N(CCO)CCO

InChI

InChI=1S/C13H17N5O8S/c1-27(25,26)15-17-12(21)8-6-10(16(2-4-19)3-5-20)11(18(23)24)7-9(8)14-13(17)22/h6-7,15,19-20H,2-5H2,1H3,(H,14,22)