2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-(2-methylpropyl)-6-propan-2-yl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-(2-methylpropyl)-6-propan-2-yl-pyrimidin-4-olate Openeye Name: 2-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanyl-5-isobutyl-6-isopropyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-chloroanilino)-2-oxoethyl]thio]-5-(2-methylpropyl)-6-propan-2-yl-4-pyrimidinolate IUPAC Name: 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-5-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-olate Traditional Name: 2-[[2-(4-chloroanilino)-2-keto-ethyl]thio]-5-isobutyl-6-isopropyl-pyrimidin-4-olate Formula: C19H23ClN3O2S- MolecularWeight: 392.92282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=C(C=C2)Cl)C(C)C

Isomeric SMILES

CC(C)CC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=C(C=C2)Cl)C(C)C

InChI

InChI=1S/C19H24ClN3O2S/c1-11(2)9-15-17(12(3)4)22-19(23-18(15)25)26-10-16(24)21-14-7-5-13(20)6-8-14/h5-8,11-12H,9-10H2,1-4H3,(H,21,24)(H,22,23,25)/p-1