N-[2-(1H-indol-3-yl)ethyl]-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide CAS Name: N-[2-(1H-indol-3-yl)ethyl]-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide Formula: C23H22N4O2S MolecularWeight: 418.51138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H22N4O2S/c28-21(24-11-10-17-14-25-20-9-5-4-8-19(17)20)12-18-13-22(29)27-23(26-18)30-15-16-6-2-1-3-7-16/h1-9,13-14,25H,10-12,15H2,(H,24,28)(H,26,27,29)