2-[2-[2-(4-chloranylphenoxy)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[2-(4-chloranylphenoxy)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-[2-(4-chlorophenoxy)ethylamino]-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C20H17ClN3O3S- MolecularWeight: 414.88528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NCCOC3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NCCOC3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C20H18ClN3O3S/c21-15-6-8-16(9-7-15)27-11-10-22-19(26)13-28-20-23-17(12-18(25)24-20)14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,22,26)(H,23,24,25)/p-1