O1-tert-butyl O2-methyl (2S,4R,5R)-4-acetyloxy-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl (2S,4R,5R)-4-acetyloxy-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl (2S,4R,5R)-4-acetoxy-5-(4-amino-2-oxo-pyrimidin-1-yl)pyrrolidine-1,2-dicarboxylate CAS Name: (2S,4R,5R)-4-acetyloxy-5-(4-amino-2-oxo-1-pyrimidinyl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S,4R,5R)-4-acetyloxy-5-(4-amino-2-oxopyrimidin-1-yl)pyrrolidine-1,2-dicarboxylate Traditional Name: (2S,4R,5R)-4-acetoxy-5-(4-amino-2-keto-pyrimidin-1-yl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C17H24N4O7 MolecularWeight: 396.39506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(N(C1N2C=CC(=NC2=O)N)C(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

CC(=O)O[C@@H]1C[C@H](N([C@H]1N2C=CC(=NC2=O)N)C(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C17H24N4O7/c1-9(22)27-11-8-10(14(23)26-5)21(16(25)28-17(2,3)4)13(11)20-7-6-12(18)19-15(20)24/h6-7,10-11,13H,8H2,1-5H3,(H2,18,19,24)/t10-,11+,13+/m0/s1