6-methyl-5-(2-methylpropyl)-3-phenethyl-2-thiophen-2-yl-pyrimidin-4-one

Systemtic Name: 6-methyl-5-(2-methylpropyl)-3-phenethyl-2-thiophen-2-yl-pyrimidin-4-one Openeye Name: 5-isobutyl-6-methyl-3-phenethyl-2-(2-thienyl)pyrimidin-4-one CAS Name: 6-methyl-5-(2-methylpropyl)-3-phenethyl-2-thiophen-2-yl-4-pyrimidinone IUPAC Name: 6-methyl-5-(2-methylpropyl)-3-phenethyl-2-thiophen-2-ylpyrimidin-4-one Traditional Name: 5-isobutyl-6-methyl-3-phenethyl-2-(2-thienyl)pyrimidin-4-one Formula: C21H24N2OS MolecularWeight: 352.49306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)C2=CC=CS2)CCC3=CC=CC=C3)CC(C)C

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)C2=CC=CS2)CCC3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C21H24N2OS/c1-15(2)14-18-16(3)22-20(19-10-7-13-25-19)23(21(18)24)12-11-17-8-5-4-6-9-17/h4-10,13,15H,11-12,14H2,1-3H3