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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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