methyl 2-(1-phenylsulfanylbutyl)pyrimidine-5-carboxylate

Systemtic Name: methyl 2-(1-phenylsulfanylbutyl)pyrimidine-5-carboxylate Openeye Name: methyl 2-(1-phenylsulfanylbutyl)pyrimidine-5-carboxylate CAS Name: 2-[1-(phenylthio)butyl]-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1-phenylsulfanylbutyl)pyrimidine-5-carboxylate Traditional Name: 2-[1-(phenylthio)butyl]pyrimidine-5-carboxylic acid methyl ester Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2S/c1-3-7-14(21-13-8-5-4-6-9-13)15-17-10-12(11-18-15)16(19)20-2/h4-6,8-11,14H,3,7H2,1-2H3