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

Systemtic Name: (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (5-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (5-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C19H24N4OS MolecularWeight: 356.48506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H24N4OS/c1-2-14-4-5-16-15(12-14)13-17(25-16)18(24)22-8-10-23(11-9-22)19-20-6-3-7-21-19/h3,6-7,13-14H,2,4-5,8-12H2,1H3