tert-butyl (2S,5R)-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-(hydroxymethyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,5R)-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-(hydroxymethyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,5R)-2-(4-amino-2-oxo-pyrimidin-1-yl)-5-(hydroxymethyl)pyrrolidine-1-carboxylate CAS Name: (2S,5R)-2-(4-amino-2-oxo-1-pyrimidinyl)-5-(hydroxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)pyrrolidine-1-carboxylate Traditional Name: (2S,5R)-2-(4-amino-2-keto-pyrimidin-1-yl)-5-methylol-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C14H22N4O4 MolecularWeight: 310.34888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CCC1N2C=CC(=NC2=O)N)CO

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H](CC[C@H]1N2C=CC(=NC2=O)N)CO

InChI

InChI=1S/C14H22N4O4/c1-14(2,3)22-13(21)18-9(8-19)4-5-11(18)17-7-6-10(15)16-12(17)20/h6-7,9,11,19H,4-5,8H2,1-3H3,(H2,15,16,20)/t9-,11+/m1/s1