1-(azepan-1-yl)-2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(5-phenyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazino]ethanone Formula: C24H29N5OS MolecularWeight: 435.58496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

InChI

InChI=1S/C24H29N5OS/c30-21(28-10-6-1-2-7-11-28)16-27-12-14-29(15-13-27)23-22-20(19-8-4-3-5-9-19)17-31-24(22)26-18-25-23/h3-5,8-9,17-18H,1-2,6-7,10-16H2