N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide Openeye Name: N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide CAS Name: N-[2-(1H-indol-3-yl)ethyl]-2-(methylthio)-4-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide Traditional Name: N-[2-(1H-indol-3-yl)ethyl]-2-(methylthio)-4-phenyl-pyrimidine-5-carboxamide Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CSC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H20N4OS/c1-28-22-25-14-18(20(26-22)15-7-3-2-4-8-15)21(27)23-12-11-16-13-24-19-10-6-5-9-17(16)19/h2-10,13-14,24H,11-12H2,1H3,(H,23,27)