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

Systemtic Name: 2-[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-[2-(2-thienyl)ethylamino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[2-(2-thienyl)ethylamino]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C15H18N3O2S2- MolecularWeight: 336.45232

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NCCC2=CC=CS2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NCCC2=CC=CS2)[O-]

InChI

InChI=1S/C15H19N3O2S2/c1-2-4-11-9-13(19)18-15(17-11)22-10-14(20)16-7-6-12-5-3-8-21-12/h3,5,8-9H,2,4,6-7,10H2,1H3,(H,16,20)(H,17,18,19)/p-1