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

Systemtic Name: 2-[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(tert-butylcarbamoylamino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(tert-butylcarbamoylamino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(tert-butylcarbamoylamino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C14H21N4O3S- MolecularWeight: 325.40654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O3S/c1-5-6-9-7-10(19)17-13(15-9)22-8-11(20)16-12(21)18-14(2,3)4/h7H,5-6,8H2,1-4H3,(H,15,17,19)(H2,16,18,20,21)/p-1