methyl (2S,4R)-1-[6-[[(2S)-3-methyl-1-oxidanyl-butan-2-yl]amino]-5-nitro-pyrimidin-4-yl]-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-[6-[[(2S)-3-methyl-1-oxidanyl-butan-2-yl]amino]-5-nitro-pyrimidin-4-yl]-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-4-hydroxy-1-[6-[[(1S)-1-(hydroxymethyl)-2-methyl-propyl]amino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-hydroxy-1-[6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-hydroxy-1-[6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-hydroxy-1-[6-[[(1S)-2-methyl-1-methylol-propyl]amino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxylic acid methyl ester Formula: C15H23N5O6 MolecularWeight: 369.37302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC1=NC=NC(=C1[N+](=O)[O-])N2CC(CC2C(=O)OC)O

Isomeric SMILES

CC(C)[C@@H](CO)NC1=NC=NC(=C1[N+](=O)[O-])N2C[C@@H](C[C@H]2C(=O)OC)O

InChI

InChI=1S/C15H23N5O6/c1-8(2)10(6-21)18-13-12(20(24)25)14(17-7-16-13)19-5-9(22)4-11(19)15(23)26-3/h7-11,21-22H,4-6H2,1-3H3,(H,16,17,18)/t9-,10-,11+/m1/s1