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

Systemtic Name: 2-ethanoyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one Openeye Name: 2-acetyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one CAS Name: 2-acetyl-5-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one IUPAC Name: 2-acetyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one Traditional Name: 2-acetyl-5-[4-[4-(2-pyrimidyl)piperazino]butyl]-7,8-dihydro-6H-thien[3,2-c]azepin-4-one Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(S1)CCCN(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(=O)C1=CC2=C(S1)CCCN(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H29N5O2S/c1-17(28)20-16-18-19(30-20)6-4-11-26(21(18)29)10-3-2-9-25-12-14-27(15-13-25)22-23-7-5-8-24-22/h5,7-8,16H,2-4,6,9-15H2,1H3