N-[5-methyl-2-(4-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide

Systemtic Name: N-[5-methyl-2-(4-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide Openeye Name: N-[5-methyl-2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide CAS Name: N-[5-methyl-2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[5-methyl-2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide Traditional Name: N-[2-(4-keto-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]adamantane-1-carboxamide Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC(=O)C6=C(N5)CCC6

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC(=O)C6=C(N5)CCC6

InChI

InChI=1S/C22H27N5O2/c1-12-5-18(27(26-12)21-23-17-4-2-3-16(17)19(28)25-21)24-20(29)22-9-13-6-14(10-22)8-15(7-13)11-22/h5,13-15H,2-4,6-11H2,1H3,(H,24,29)(H,23,25,28)