(5-fluoranyl-1-benzothiophen-2-yl)-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (5-fluoranyl-1-benzothiophen-2-yl)-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (5-fluorobenzothiophen-2-yl)-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: (5-fluoro-1-benzothiophen-2-yl)-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (5-fluoro-1-benzothiophen-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (5-fluorobenzothiophen-2-yl)-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]methanone Formula: C21H23FN4OS MolecularWeight: 398.496923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)F

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)F

InChI

InChI=1S/C21H23FN4OS/c1-13(2)20-23-14(3)10-19(24-20)25-6-8-26(9-7-25)21(27)18-12-15-11-16(22)4-5-17(15)28-18/h4-5,10-13H,6-9H2,1-3H3