2-[[1,3-dimethyl-5-nitro-2,6-bis(oxidanylidene)pyrimidin-4-yl]amino]ethyl methanesulfonate

Systemtic Name: 2-[[1,3-dimethyl-5-nitro-2,6-bis(oxidanylidene)pyrimidin-4-yl]amino]ethyl methanesulfonate Openeye Name: 2-[(1,3-dimethyl-5-nitro-2,6-dioxo-pyrimidin-4-yl)amino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[(1,3-dimethyl-5-nitro-2,6-dioxo-4-pyrimidinyl)amino]ethyl ester IUPAC Name: 2-[(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)amino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[(2,6-diketo-1,3-dimethyl-5-nitro-pyrimidin-4-yl)amino]ethyl ester Formula: C9H14N4O7S MolecularWeight: 322.29506

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])NCCOS(=O)(=O)C

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])NCCOS(=O)(=O)C

InChI

InChI=1S/C9H14N4O7S/c1-11-7(10-4-5-20-21(3,18)19)6(13(16)17)8(14)12(2)9(11)15/h10H,4-5H2,1-3H3