N-butan-2-yl-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide

Systemtic Name: N-butan-2-yl-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide Openeye Name: 2-methylsulfanyl-4-phenyl-N-sec-butyl-pyrimidine-5-carboxamide CAS Name: N-butan-2-yl-2-(methylthio)-4-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-butan-2-yl-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide Traditional Name: 2-(methylthio)-4-phenyl-N-sec-butyl-pyrimidine-5-carboxamide Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CN=C(N=C1C2=CC=CC=C2)SC

Isomeric SMILES

CCC(C)NC(=O)C1=CN=C(N=C1C2=CC=CC=C2)SC

InChI

InChI=1S/C16H19N3OS/c1-4-11(2)18-15(20)13-10-17-16(21-3)19-14(13)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,18,20)