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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3=CC=CC=C3Cl

InChI

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