6-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]pyrimidin-4-olate Formula: C22H22N3O3S- MolecularWeight: 408.49338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

Isomeric SMILES

COC1=CC=CC=C1CCNC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C22H23N3O3S/c1-28-19-10-6-5-9-17(19)11-12-23-20(26)13-18-14-21(27)25-22(24-18)29-15-16-7-3-2-4-8-16/h2-10,14H,11-13,15H2,1H3,(H,23,26)(H,24,25,27)/p-1