6-(naphthalen-1-ylmethyl)-2-phenethylsulfanyl-5-propan-2-yl-1H-pyrimidin-4-one

Systemtic Name: 6-(naphthalen-1-ylmethyl)-2-phenethylsulfanyl-5-propan-2-yl-1H-pyrimidin-4-one Openeye Name: 5-isopropyl-6-(1-naphthylmethyl)-2-phenethylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-(1-naphthalenylmethyl)-2-(phenethylthio)-5-propan-2-yl-1H-pyrimidin-4-one IUPAC Name: 6-(naphthalen-1-ylmethyl)-2-phenethylsulfanyl-5-propan-2-yl-1H-pyrimidin-4-one Traditional Name: 5-isopropyl-6-(1-naphthylmethyl)-2-(phenethylthio)-1H-pyrimidin-4-one Formula: C26H26N2OS MolecularWeight: 414.56244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(NC(=NC1=O)SCCC2=CC=CC=C2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)C1=C(NC(=NC1=O)SCCC2=CC=CC=C2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H26N2OS/c1-18(2)24-23(17-21-13-8-12-20-11-6-7-14-22(20)21)27-26(28-25(24)29)30-16-15-19-9-4-3-5-10-19/h3-14,18H,15-17H2,1-2H3,(H,27,28,29)