ethyl 4-butylsulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-butylsulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-butylsulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-(butylthio)-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-butylsulfanyl-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(butylthio)-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC(=C1C(=O)OCC)C)C2=CC=CC=C2

Isomeric SMILES

CCCCSC1=NC(=NC(=C1C(=O)OCC)C)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2O2S/c1-4-6-12-23-17-15(18(21)22-5-2)13(3)19-16(20-17)14-10-8-7-9-11-14/h7-11H,4-6,12H2,1-3H3