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

Systemtic Name: N-[2-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]adamantane-1-carboxamide Openeye Name: N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]adamantane-1-carboxamide CAS Name: N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-3-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]adamantane-1-carboxamide Traditional Name: N-[2-(6-ethyl-4-keto-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]adamantane-1-carboxamide Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27N5O2/c1-3-16-8-18(27)24-20(22-16)26-17(4-12(2)25-26)23-19(28)21-9-13-5-14(10-21)7-15(6-13)11-21/h4,8,13-15H,3,5-7,9-11H2,1-2H3,(H,23,28)(H,22,24,27)