[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H22N4OS/c1-13-3-4-15-14(11-13)12-16(24-15)17(23)21-7-9-22(10-8-21)18-19-5-2-6-20-18/h2,5-6,12-13H,3-4,7-11H2,1H3/t13-/m0/s1