N-[2-(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]adamantane-1-carboxamide

Systemtic Name: N-[2-(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]adamantane-1-carboxamide Openeye Name: N-[2-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]adamantane-1-carboxamide CAS Name: N-[2-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]adamantane-1-carboxamide Traditional Name: N-[2-(4-keto-6-phenyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]adamantane-1-carboxamide Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=NN4C5=NC(=O)C=C(N5)C6=CC=CC=C6)C7=CC=CS7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=NN4C5=NC(=O)C=C(N5)C6=CC=CC=C6)C7=CC=CS7

InChI

InChI=1S/C28H27N5O2S/c34-25-13-21(20-5-2-1-3-6-20)29-27(31-25)33-24(12-22(32-33)23-7-4-8-36-23)30-26(35)28-14-17-9-18(15-28)11-19(10-17)16-28/h1-8,12-13,17-19H,9-11,14-16H2,(H,30,35)(H,29,31,34)