1-(azepan-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone Openeye Name: 1-(azepan-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone CAS Name: 1-(1-azepanyl)-2-[4-(4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone Traditional Name: 1-(azepan-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazino)ethanone Formula: C18H25N5OS MolecularWeight: 359.489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C3=C4C=CSC4=NC=N3

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C3=C4C=CSC4=NC=N3

InChI

InChI=1S/C18H25N5OS/c24-16(22-6-3-1-2-4-7-22)13-21-8-10-23(11-9-21)17-15-5-12-25-18(15)20-14-19-17/h5,12,14H,1-4,6-11,13H2