6-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-(4-ethoxyanilino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-(4-ethoxyanilino)-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-(4-ethoxyanilino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-keto-2-(p-phenetidino)ethyl]pyrimidin-4-olate Formula: C21H20N3O3S- MolecularWeight: 394.4668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H21N3O3S/c1-2-27-18-10-8-16(9-11-18)22-19(25)12-17-13-20(26)24-21(23-17)28-14-15-6-4-3-5-7-15/h3-11,13H,2,12,14H2,1H3,(H,22,25)(H,23,24,26)/p-1