N-[3-(3-thiophen-2-ylcarbonylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-(3-thiophen-2-ylcarbonylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[3-[oxo(thiophen-2-yl)methyl]-7-pyrazolo[1,5-a]pyrimidinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-[3-(2-thenoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]adamantane-1-carboxamide Formula: C28H26N4O2S MolecularWeight: 482.59664

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=CC(=C4)C5=CC=NC6=C(C=NN56)C(=O)C7=CC=CS7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=CC(=C4)C5=CC=NC6=C(C=NN56)C(=O)C7=CC=CS7

InChI

InChI=1S/C28H26N4O2S/c33-25(24-5-2-8-35-24)22-16-30-32-23(6-7-29-26(22)32)20-3-1-4-21(12-20)31-27(34)28-13-17-9-18(14-28)11-19(10-17)15-28/h1-8,12,16-19H,9-11,13-15H2,(H,31,34)