2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[2-(4-chlorophenyl)ethylamino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C15H15ClN3O2S- MolecularWeight: 336.8165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCCC2=CC=C(C=C2)Cl)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCCC2=CC=C(C=C2)Cl)[O-]

InChI

InChI=1S/C15H16ClN3O2S/c1-10-8-13(20)19-15(18-10)22-9-14(21)17-7-6-11-2-4-12(16)5-3-11/h2-5,8H,6-7,9H2,1H3,(H,17,21)(H,18,19,20)/p-1