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

Systemtic Name: 2-[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(cyclopentylcarbamoylamino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(cyclopentylcarbamoylamino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C15H21N4O3S- MolecularWeight: 337.41724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC(=O)NC2CCCC2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC(=O)NC2CCCC2)[O-]

InChI

InChI=1S/C15H22N4O3S/c1-2-5-11-8-12(20)19-15(17-11)23-9-13(21)18-14(22)16-10-6-3-4-7-10/h8,10H,2-7,9H2,1H3,(H,17,19,20)(H2,16,18,21,22)/p-1