(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (5-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (5-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H28N4OS/c1-21(2,3)16-5-6-17-15(13-16)14-18(27-17)19(26)24-9-11-25(12-10-24)20-22-7-4-8-23-20/h4,7-8,14,16H,5-6,9-13H2,1-3H3