dimethyl 2-[bis(phenylsulfanyl)methyl]pyrimidine-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[bis(phenylsulfanyl)methyl]pyrimidine-4,5-dicarboxylate Openeye Name: dimethyl 2-[bis(phenylsulfanyl)methyl]pyrimidine-4,5-dicarboxylate CAS Name: 2-[bis(phenylthio)methyl]pyrimidine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[bis(phenylsulfanyl)methyl]pyrimidine-4,5-dicarboxylate Traditional Name: 2-[bis(phenylthio)methyl]pyrimidine-4,5-dicarboxylic acid dimethyl ester Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(N=C1C(=O)OC)C(SC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN=C(N=C1C(=O)OC)C(SC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O4S2/c1-26-19(24)16-13-22-18(23-17(16)20(25)27-2)21(28-14-9-5-3-6-10-14)29-15-11-7-4-8-12-15/h3-13,21H,1-2H3