5-(2-hydroxyethyl)-2-[2-[(2-hydroxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 5-(2-hydroxyethyl)-2-[2-[(2-hydroxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-hydroxyanilino)-2-oxo-ethyl]sulfanyl-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(2-hydroxyanilino)-2-oxoethyl]thio]-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-hydroxyanilino)-2-oxoethyl]sulfanyl-5-(2-hydroxyethyl)-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(2-hydroxyanilino)-2-keto-ethyl]thio]-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate Formula: C15H16N3O4S- MolecularWeight: 334.37024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)NC2=CC=CC=C2O)[O-])CCO

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)NC2=CC=CC=C2O)[O-])CCO

InChI

InChI=1S/C15H17N3O4S/c1-9-10(6-7-19)14(22)18-15(16-9)23-8-13(21)17-11-4-2-3-5-12(11)20/h2-5,19-20H,6-8H2,1H3,(H,17,21)(H,16,18,22)/p-1