2-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(3-bromoanilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(3-bromoanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(3-bromoanilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C15H15BrN3O2S- MolecularWeight: 381.2675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)Br)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)Br)[O-]

InChI

InChI=1S/C15H16BrN3O2S/c1-2-4-11-8-13(20)19-15(18-11)22-9-14(21)17-12-6-3-5-10(16)7-12/h3,5-8H,2,4,9H2,1H3,(H,17,21)(H,18,19,20)/p-1