2-ethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydrothieno[3,2-c]azepine-4,6-dione

Systemtic Name: 2-ethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydrothieno[3,2-c]azepine-4,6-dione Openeye Name: 2-ethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydrothieno[3,2-c]azepine-4,6-dione CAS Name: 2-ethyl-5-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-7,8-dihydrothieno[3,2-c]azepine-4,6-dione IUPAC Name: 2-ethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydrothieno[3,2-c]azepine-4,6-dione Traditional Name: 2-ethyl-5-[4-[4-(2-pyrimidyl)piperazino]butyl]-7,8-dihydrothien[3,2-c]azepine-4,6-quinone Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)CCC(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCC1=CC2=C(S1)CCC(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H29N5O2S/c1-2-17-16-18-19(30-17)6-7-20(28)27(21(18)29)11-4-3-10-25-12-14-26(15-13-25)22-23-8-5-9-24-22/h5,8-9,16H,2-4,6-7,10-15H2,1H3