2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(2,6-diethylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(2,6-diethylanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(2,6-diethylanilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C17H20N3O2S- MolecularWeight: 330.4246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC(=CC(=N2)[O-])C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC(=CC(=N2)[O-])C

InChI

InChI=1S/C17H21N3O2S/c1-4-12-7-6-8-13(5-2)16(12)19-15(22)10-23-17-18-11(3)9-14(21)20-17/h6-9H,4-5,10H2,1-3H3,(H,19,22)(H,18,20,21)/p-1