2-[(3-chlorophenyl)methylsulfanyl]-6-[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 2-[(3-chlorophenyl)methylthio]-6-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-[(3-chlorobenzyl)thio]-6-[2-keto-2-(o-anisylamino)ethyl]pyrimidin-4-olate Formula: C21H19ClN3O3S- MolecularWeight: 428.91186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

InChI

InChI=1S/C21H20ClN3O3S/c1-28-18-8-3-2-6-15(18)12-23-19(26)10-17-11-20(27)25-21(24-17)29-13-14-5-4-7-16(22)9-14/h2-9,11H,10,12-13H2,1H3,(H,23,26)(H,24,25,27)/p-1