2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(tert-butylamino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(tert-butylamino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C13H20N3O2S- MolecularWeight: 282.3818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC(C)(C)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC(C)(C)C)[O-]

InChI

InChI=1S/C13H21N3O2S/c1-5-6-9-7-10(17)15-12(14-9)19-8-11(18)16-13(2,3)4/h7H,5-6,8H2,1-4H3,(H,16,18)(H,14,15,17)/p-1