6-[(3S)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)piperidin-3-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[(3S)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)piperidin-3-yl]-1H-pyrimidin-4-one Openeye Name: 6-[(3S)-1-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)-3-piperidyl]-1H-pyrimidin-4-one CAS Name: 6-[(3S)-1-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-3-piperidinyl]-1H-pyrimidin-4-one IUPAC Name: 6-[(3S)-1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidin-3-yl]-1H-pyrimidin-4-one Traditional Name: 6-[(3S)-1-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)-3-piperidyl]-1H-pyrimidin-4-one Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)N3CCCC(C3)C4=CC(=O)N=CN4

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)N3CCC[C@@H](C3)C4=CC(=O)N=CN4

InChI

InChI=1S/C18H21N3O2S/c22-17-9-14(19-11-20-17)13-5-3-7-21(10-13)18(23)16-8-12-4-1-2-6-15(12)24-16/h8-9,11,13H,1-7,10H2,(H,19,20,22)/t13-/m0/s1