7-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8aH-thieno[3,2-f][1,4]thiazepin-3-one

Systemtic Name: 7-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8aH-thieno[3,2-f][1,4]thiazepin-3-one Openeye Name: 7-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8aH-thieno[3,2-f][1,4]thiazepin-3-one CAS Name: 7-methyl-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-8aH-thieno[3,2-f][1,4]thiazepin-3-one IUPAC Name: 7-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8aH-thieno[3,2-f][1,4]thiazepin-3-one Traditional Name: 7-methyl-4-[4-[4-(2-pyrimidyl)piperazino]butyl]-8aH-thieno[3,2-f][1,4]thiazepin-3-one Formula: C20H27N5OS2 MolecularWeight: 417.59128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CN(C(=O)CSC2S1)CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC2=CN(C(=O)CSC2S1)CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H27N5OS2/c1-16-13-17-14-25(18(26)15-27-19(17)28-16)8-3-2-7-23-9-11-24(12-10-23)20-21-5-4-6-22-20/h4-6,13-14,19H,2-3,7-12,15H2,1H3