N-(3-methylbutyl)-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide

Systemtic Name: N-(3-methylbutyl)-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide Openeye Name: N-isopentyl-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide CAS Name: N-(3-methylbutyl)-2-(methylthio)-4-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-(3-methylbutyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide Traditional Name: N-isoamyl-2-(methylthio)-4-phenyl-pyrimidine-5-carboxamide Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3OS/c1-12(2)9-10-18-16(21)14-11-19-17(22-3)20-15(14)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,18,21)