4-butyl-N-[2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-[2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]cyclohexanecarboxamide CAS Name: 4-butyl-N-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-[2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]cyclohexanecarboxamide Formula: C25H33N5O2S MolecularWeight: 467.62682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NC2=CC(=NN2C3=NC(=O)C=C(N3)CCC)C4=CC=CS4

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NC2=CC(=NN2C3=NC(=O)C=C(N3)CCC)C4=CC=CS4

InChI

InChI=1S/C25H33N5O2S/c1-3-5-8-17-10-12-18(13-11-17)24(32)27-22-16-20(21-9-6-14-33-21)29-30(22)25-26-19(7-4-2)15-23(31)28-25/h6,9,14-18H,3-5,7-8,10-13H2,1-2H3,(H,27,32)(H,26,28,31)