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

Systemtic Name: 2-[2-oxidanylidene-2-[(3-propoxycarbonylphenyl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-(3-propoxycarbonylanilino)ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[3-[oxo(propoxy)methyl]anilino]ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(3-propoxycarbonylanilino)ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(3-propoxycarbonylanilino)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C19H22N3O4S- MolecularWeight: 388.46068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-3-6-14-11-16(23)22-19(21-14)27-12-17(24)20-15-8-5-7-13(10-15)18(25)26-9-4-2/h5,7-8,10-11H,3-4,6,9,12H2,1-2H3,(H,20,24)(H,21,22,23)/p-1