5-[(4-ethoxyphenyl)methyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 5-[(4-ethoxyphenyl)methyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-5-[(4-ethoxyphenyl)methyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[(4-ethoxyphenyl)methyl]-6-methyl-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-5-[(4-ethoxyphenyl)methyl]-6-methylpyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-(4-ethoxybenzyl)-6-methyl-pyrimidin-4-olate Formula: C21H21N2O2S- MolecularWeight: 365.46864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=C(N=C(N=C2[O-])SCC3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=C(N=C(N=C2[O-])SCC3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O2S/c1-3-25-18-11-9-16(10-12-18)13-19-15(2)22-21(23-20(19)24)26-14-17-7-5-4-6-8-17/h4-12H,3,13-14H2,1-2H3,(H,22,23,24)/p-1