dimethyl 2-(1-phenylsulfanylbutyl)pyrimidine-4,5-dicarboxylate

Systemtic Name: dimethyl 2-(1-phenylsulfanylbutyl)pyrimidine-4,5-dicarboxylate Openeye Name: dimethyl 2-(1-phenylsulfanylbutyl)pyrimidine-4,5-dicarboxylate CAS Name: 2-[1-(phenylthio)butyl]pyrimidine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(1-phenylsulfanylbutyl)pyrimidine-4,5-dicarboxylate Traditional Name: 2-[1-(phenylthio)butyl]pyrimidine-4,5-dicarboxylic acid dimethyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC=C(C(=N1)C(=O)OC)C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CCCC(C1=NC=C(C(=N1)C(=O)OC)C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O4S/c1-4-8-14(25-12-9-6-5-7-10-12)16-19-11-13(17(21)23-2)15(20-16)18(22)24-3/h5-7,9-11,14H,4,8H2,1-3H3