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

Systemtic Name: 2-bromanyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one Openeye Name: 2-bromo-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one CAS Name: 2-bromo-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one IUPAC Name: 2-bromo-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one Traditional Name: 2-bromo-4-[4-[4-(2-pyrimidyl)piperazino]butyl]-7,8-dihydro-6H-thien[3,2-b]azepin-5-one Formula: C20H26BrN5OS MolecularWeight: 464.42234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(S2)Br)N(C(=O)C1)CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC2=C(C=C(S2)Br)N(C(=O)C1)CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H26BrN5OS/c21-18-15-16-17(28-18)5-3-6-19(27)26(16)10-2-1-9-24-11-13-25(14-12-24)20-22-7-4-8-23-20/h4,7-8,15H,1-3,5-6,9-14H2