[2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(2,5-dimethylphenyl)sulfanyl-3-pyridyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-[(2,5-dimethylphenyl)thio]-3-pyridinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-[(2,5-dimethylphenyl)thio]-3-pyridyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H23N5OS MolecularWeight: 405.51592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H23N5OS/c1-16-6-7-17(2)19(15-16)29-20-18(5-3-8-23-20)21(28)26-11-13-27(14-12-26)22-24-9-4-10-25-22/h3-10,15H,11-14H2,1-2H3