5-[(4-ethoxyphenyl)-(1-methyl-2-methylsulfanyl-6-oxidanidyl-4-oxidanylidene-pyrimidin-5-yl)methyl]-3-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 5-[(4-ethoxyphenyl)-(1-methyl-2-methylsulfanyl-6-oxidanidyl-4-oxidanylidene-pyrimidin-5-yl)methyl]-3-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 5-[(4-ethoxyphenyl)-(1-methyl-2-methylsulfanyl-6-oxido-4-oxo-pyrimidin-5-yl)methyl]-3-methyl-2-methylsulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 5-[(4-ethoxyphenyl)-[1-methyl-2-(methylthio)-6-oxido-4-oxo-5-pyrimidinyl]methyl]-3-methyl-2-(methylthio)-6-oxo-4-pyrimidinolate IUPAC Name: 5-[(4-ethoxyphenyl)-(1-methyl-2-methylsulfanyl-6-oxido-4-oxopyrimidin-5-yl)methyl]-3-methyl-2-methylsulfanyl-6-oxopyrimidin-4-olate Traditional Name: 6-keto-5-[[4-keto-1-methyl-2-(methylthio)-6-oxido-pyrimidin-5-yl]-p-phenetyl-methyl]-3-methyl-2-(methylthio)pyrimidin-4-olate Formula: C21H22N4O5S2-2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=C(N(C(=NC2=O)SC)C)[O-])C3=C(N(C(=NC3=O)SC)C)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=C(N(C(=NC2=O)SC)C)[O-])C3=C(N(C(=NC3=O)SC)C)[O-]

InChI

InChI=1S/C21H24N4O5S2/c1-6-30-12-9-7-11(8-10-12)13(14-16(26)22-20(31-4)24(2)18(14)28)15-17(27)23-21(32-5)25(3)19(15)29/h7-10,13,28-29H,6H2,1-5H3/p-2