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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C(CSC2)C(=O)C1CCCCN3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CN(C2=C(CSC2)C(=O)C1CCCCN3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C22H31N5OS/c1-17-14-25(2)20-16-29-15-19(20)21(28)18(17)6-3-4-9-26-10-12-27(13-11-26)22-23-7-5-8-24-22/h5,7-8,14,18H,3-4,6,9-13,15-16H2,1-2H3