[2-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]-6-methyl-5-methylsulfonyloxy-3-(phenylcarbonyloxy)oxan-4-yl] benzoate

Systemtic Name: [2-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]-6-methyl-5-methylsulfonyloxy-3-(phenylcarbonyloxy)oxan-4-yl] benzoate Openeye Name: [2-[(6-amino-5-nitro-pyrimidin-4-yl)amino]-3-benzoyloxy-6-methyl-5-methylsulfonyloxy-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [2-[(6-amino-5-nitro-4-pyrimidinyl)amino]-3-benzoyloxy-6-methyl-5-methylsulfonyloxy-4-oxanyl] ester IUPAC Name: [2-[(6-amino-5-nitropyrimidin-4-yl)amino]-3-benzoyloxy-6-methyl-5-methylsulfonyloxyoxan-4-yl] benzoate Traditional Name: benzoic acid [2-[(6-amino-5-nitro-pyrimidin-4-yl)amino]-3-benzoyloxy-6-methyl-5-methylsulfonyloxy-tetrahydropyran-4-yl] ester Formula: C25H25N5O10S MolecularWeight: 587.5585

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)NC2=NC=NC(=C2[N+](=O)[O-])N)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OS(=O)(=O)C

Isomeric SMILES

CC1C(C(C(C(O1)NC2=NC=NC(=C2[N+](=O)[O-])N)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OS(=O)(=O)C

InChI

InChI=1S/C25H25N5O10S/c1-14-18(40-41(2,35)36)19(38-24(31)15-9-5-3-6-10-15)20(39-25(32)16-11-7-4-8-12-16)23(37-14)29-22-17(30(33)34)21(26)27-13-28-22/h3-14,18-20,23H,1-2H3,(H3,26,27,28,29)