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

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (3-chlorobenzothiophen-2-yl)-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-1-benzothiophen-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (3-chlorobenzothiophen-2-yl)-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]methanone Formula: C21H23ClN4OS MolecularWeight: 414.95152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H23ClN4OS/c1-13(2)20-23-14(3)12-17(24-20)25-8-10-26(11-9-25)21(27)19-18(22)15-6-4-5-7-16(15)28-19/h4-7,12-13H,8-11H2,1-3H3