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

Systemtic Name: 2-methyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydrothieno[3,2-c]azepine-4,6-dione Openeye Name: 2-methyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydrothieno[3,2-c]azepine-4,6-dione CAS Name: 2-methyl-5-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-7,8-dihydrothieno[3,2-c]azepine-4,6-dione IUPAC Name: 2-methyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydrothieno[3,2-c]azepine-4,6-dione Traditional Name: 2-methyl-5-[4-[4-(2-pyrimidyl)piperazino]butyl]-7,8-dihydrothien[3,2-c]azepine-4,6-quinone Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)CCC(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC2=C(S1)CCC(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N5O2S/c1-16-15-17-18(29-16)5-6-19(27)26(20(17)28)10-3-2-9-24-11-13-25(14-12-24)21-22-7-4-8-23-21/h4,7-8,15H,2-3,5-6,9-14H2,1H3