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

Systemtic Name: N-[5-methyl-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide Openeye Name: N-[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide CAS Name: N-[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-3-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide Traditional Name: N-[2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]adamantane-1-carboxamide Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N5O2/c1-3-4-17-9-19(28)25-21(23-17)27-18(5-13(2)26-27)24-20(29)22-10-14-6-15(11-22)8-16(7-14)12-22/h5,9,14-16H,3-4,6-8,10-12H2,1-2H3,(H,24,29)(H,23,25,28)