N-[3-[methyl-(phenylmethyl)amino]propyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide

Systemtic Name: N-[3-[methyl-(phenylmethyl)amino]propyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide Openeye Name: N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide CAS Name: N-[3-[methyl-(phenylmethyl)amino]propyl]-2-(methylthio)-4-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide Traditional Name: N-[3-[benzyl(methyl)amino]propyl]-2-(methylthio)-4-phenyl-pyrimidine-5-carboxamide Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=CN=C(N=C1C2=CC=CC=C2)SC)CC3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)C1=CN=C(N=C1C2=CC=CC=C2)SC)CC3=CC=CC=C3

InChI

InChI=1S/C23H26N4OS/c1-27(17-18-10-5-3-6-11-18)15-9-14-24-22(28)20-16-25-23(29-2)26-21(20)19-12-7-4-8-13-19/h3-8,10-13,16H,9,14-15,17H2,1-2H3,(H,24,28)