5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(5-oxidanyl-2-adamantyl)pyrazole-4-carboxamide

Systemtic Name: 5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(5-oxidanyl-2-adamantyl)pyrazole-4-carboxamide Openeye Name: 5-cyclopropyl-1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-1-[4-(2,5-dimethyl-3-thiophenyl)-2-pyrimidinyl]-N-(5-hydroxy-2-adamantyl)-4-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide Traditional Name: 5-cyclopropyl-1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)NC4C5CC6CC4CC(C6)(C5)O)C7CC7

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)NC4C5CC6CC4CC(C6)(C5)O)C7CC7

InChI

InChI=1S/C27H31N5O2S/c1-14-7-20(15(2)35-14)22-5-6-28-26(30-22)32-24(17-3-4-17)21(13-29-32)25(33)31-23-18-8-16-9-19(23)12-27(34,10-16)11-18/h5-7,13,16-19,23,34H,3-4,8-12H2,1-2H3,(H,31,33)