2-[2-oxidanylidene-2-[(4-propan-2-yloxyphenyl)amino]ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[(4-propan-2-yloxyphenyl)amino]ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-isopropoxyanilino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(4-isopropoxyanilino)-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C21H20N3O3S- MolecularWeight: 394.4668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-14(2)27-17-10-8-16(9-11-17)22-20(26)13-28-21-23-18(12-19(25)24-21)15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3,(H,22,26)(H,23,24,25)/p-1