N-tert-butyl-2-[(4-oxidanyl-6-oxidanylidene-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[(4-oxidanyl-6-oxidanylidene-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-allyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[(4-hydroxy-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-tert-butyl-2-[(4-hydroxy-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(5-allyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N-tert-butyl-acetamide Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC(=C(C(=O)N1)CC=C)O

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC(=C(C(=O)N1)CC=C)O

InChI

InChI=1S/C13H19N3O3S/c1-5-6-8-10(18)14-12(15-11(8)19)20-7-9(17)16-13(2,3)4/h5H,1,6-7H2,2-4H3,(H,16,17)(H2,14,15,18,19)