5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-tert-butyl-1,3-oxathiolane-2-carboxylate

Systemtic Name: 5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-tert-butyl-1,3-oxathiolane-2-carboxylate Openeye Name: 5-(4-amino-2-oxo-pyrimidin-1-yl)-2-tert-butyl-1,3-oxathiolane-2-carboxylate CAS Name: 5-(4-amino-2-oxo-1-pyrimidinyl)-2-tert-butyl-1,3-oxathiolane-2-carboxylate IUPAC Name: 5-(4-amino-2-oxopyrimidin-1-yl)-2-tert-butyl-1,3-oxathiolane-2-carboxylate Traditional Name: 5-(4-amino-2-keto-pyrimidin-1-yl)-2-tert-butyl-1,3-oxathiolane-2-carboxylate Formula: C12H16N3O4S- MolecularWeight: 298.33814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(OC(CS1)N2C=CC(=NC2=O)N)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1(OC(CS1)N2C=CC(=NC2=O)N)C(=O)[O-]

InChI

InChI=1S/C12H17N3O4S/c1-11(2,3)12(9(16)17)19-8(6-20-12)15-5-4-7(13)14-10(15)18/h4-5,8H,6H2,1-3H3,(H,16,17)(H2,13,14,18)/p-1