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

Systemtic Name: 2-ethyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one Openeye Name: 2-ethyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one CAS Name: 2-ethyl-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one IUPAC Name: 2-ethyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one Traditional Name: 2-ethyl-4-[4-[4-(2-pyrimidyl)piperazino]butyl]-7,8-dihydro-6H-thien[3,2-b]azepin-5-one Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)CCCC(=O)N2CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCC1=CC2=C(S1)CCCC(=O)N2CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H31N5OS/c1-2-18-17-19-20(29-18)7-5-8-21(28)27(19)12-4-3-11-25-13-15-26(16-14-25)22-23-9-6-10-24-22/h6,9-10,17H,2-5,7-8,11-16H2,1H3