2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanyl-5,6-dimethyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-5,6-dimethyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-5,6-dimethylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(p-phenetidino)ethyl]thio]-5,6-dimethyl-pyrimidin-4-olate Formula: C16H18N3O3S- MolecularWeight: 332.39742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=N2)[O-])C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=N2)[O-])C)C

InChI

InChI=1S/C16H19N3O3S/c1-4-22-13-7-5-12(6-8-13)18-14(20)9-23-16-17-11(3)10(2)15(21)19-16/h5-8H,4,9H2,1-3H3,(H,18,20)(H,17,19,21)/p-1