6-[1-[(3-thiophen-3-yl-1H-pyrazol-5-yl)carbonyl]piperidin-4-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[1-[(3-thiophen-3-yl-1H-pyrazol-5-yl)carbonyl]piperidin-4-yl]-1H-pyrimidin-4-one Openeye Name: 6-[1-[3-(3-thienyl)-1H-pyrazole-5-carbonyl]-4-piperidyl]-1H-pyrimidin-4-one CAS Name: 6-[1-[oxo-[3-(3-thiophenyl)-1H-pyrazol-5-yl]methyl]-4-piperidinyl]-1H-pyrimidin-4-one IUPAC Name: 6-[1-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1H-pyrimidin-4-one Traditional Name: 6-[1-[3-(3-thienyl)-1H-pyrazole-5-carbonyl]-4-piperidyl]-1H-pyrimidin-4-one Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC(=O)N=CN2)C(=O)C3=CC(=NN3)C4=CSC=C4

Isomeric SMILES

C1CN(CCC1C2=CC(=O)N=CN2)C(=O)C3=CC(=NN3)C4=CSC=C4

InChI

InChI=1S/C17H17N5O2S/c23-16-8-13(18-10-19-16)11-1-4-22(5-2-11)17(24)15-7-14(20-21-15)12-3-6-25-9-12/h3,6-11H,1-2,4-5H2,(H,20,21)(H,18,19,23)