3-(2-methylpropyl)-6-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 3-(2-methylpropyl)-6-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 3-isobutyl-6-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 3-(2-methylpropyl)-6-oxo-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-4-pyrimidinolate IUPAC Name: 3-(2-methylpropyl)-6-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 3-isobutyl-6-keto-2-[[2-keto-2-(phenethylamino)ethyl]thio]pyrimidin-4-olate Formula: C18H22N3O3S- MolecularWeight: 360.45058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CC(=O)N=C1SCC(=O)NCCC2=CC=CC=C2)[O-]

Isomeric SMILES

CC(C)CN1C(=CC(=O)N=C1SCC(=O)NCCC2=CC=CC=C2)[O-]

InChI

InChI=1S/C18H23N3O3S/c1-13(2)11-21-17(24)10-15(22)20-18(21)25-12-16(23)19-9-8-14-6-4-3-5-7-14/h3-7,10,13,24H,8-9,11-12H2,1-2H3,(H,19,23)/p-1