2-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-isopropoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[4-[oxo(propan-2-yloxy)methyl]anilino]ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(4-isopropoxycarbonylanilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C19H22N3O4S- MolecularWeight: 388.46068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-4-5-15-10-16(23)22-19(21-15)27-11-17(24)20-14-8-6-13(7-9-14)18(25)26-12(2)3/h6-10,12H,4-5,11H2,1-3H3,(H,20,24)(H,21,22,23)/p-1