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

Systemtic Name: 2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-5-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-6-ethyl-5-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-6-ethyl-5-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-6-ethyl-5-methylpyrimidin-4-olate Traditional Name: 2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-6-ethyl-5-methyl-pyrimidin-4-olate Formula: C15H15BrN3O2S- MolecularWeight: 381.2675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)Br)[O-])C

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)Br)[O-])C

InChI

InChI=1S/C15H16BrN3O2S/c1-3-12-9(2)14(21)19-15(18-12)22-8-13(20)17-11-6-4-10(16)5-7-11/h4-7H,3,8H2,1-2H3,(H,17,20)(H,18,19,21)/p-1