3-ethanoyl-2-methyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one

Systemtic Name: 3-ethanoyl-2-methyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one Openeye Name: 3-acetyl-2-methyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one CAS Name: 3-acetyl-2-methyl-5-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one IUPAC Name: 3-acetyl-2-methyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one Traditional Name: 3-acetyl-2-methyl-5-[4-[4-(2-pyrimidyl)piperazino]butyl]-7,8-dihydro-6H-thien[3,2-c]azepin-4-one Formula: C23H31N5O2S MolecularWeight: 441.58954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)CCCN(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4)C(=O)C

Isomeric SMILES

CC1=C(C2=C(S1)CCCN(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4)C(=O)C

InChI

InChI=1S/C23H31N5O2S/c1-17(29)20-18(2)31-19-7-5-12-27(22(30)21(19)20)11-4-3-10-26-13-15-28(16-14-26)23-24-8-6-9-25-23/h6,8-9H,3-5,7,10-16H2,1-2H3