2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C17H24N3O2S- MolecularWeight: 334.45636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NCCC2=CCCCC2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NCCC2=CCCCC2)[O-]

InChI

InChI=1S/C17H25N3O2S/c1-2-6-14-11-15(21)20-17(19-14)23-12-16(22)18-10-9-13-7-4-3-5-8-13/h7,11H,2-6,8-10,12H2,1H3,(H,18,22)(H,19,20,21)/p-1