(4-pyrimidin-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Systemtic Name: (4-pyrimidin-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Openeye Name: (4-pyrimidin-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone CAS Name: [4-(2-pyrimidinyl)-1-piperazinyl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone IUPAC Name: (4-pyrimidin-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Traditional Name: [4-(2-pyrimidyl)piperazino]-(4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C17H20N4OS/c22-16(14-12-23-15-5-2-1-4-13(14)15)20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3,6-7,12H,1-2,4-5,8-11H2