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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(S1)CCCC(=O)N2CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(=O)C1=CC2=C(S1)CCCC(=O)N2CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

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