2-[3-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]propyl]isoindoline-1,3-quinone Formula: C22H19N3O2S MolecularWeight: 389.47016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H19N3O2S/c1-15-14-19(16-8-3-2-4-9-16)24-22(23-15)28-13-7-12-25-20(26)17-10-5-6-11-18(17)21(25)27/h2-6,8-11,14H,7,12-13H2,1H3