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

Systemtic Name: N-[2-(4-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]adamantane-1-carboxamide Openeye Name: N-[2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]adamantane-1-carboxamide CAS Name: N-[2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]adamantane-1-carboxamide Traditional Name: N-[2-(4-keto-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]adamantane-1-carboxamide Formula: C25H27N5O2S MolecularWeight: 461.57918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)NC(=NC2=O)N3C(=CC(=N3)C4=CC=CS4)NC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CC2=C(C1)NC(=NC2=O)N3C(=CC(=N3)C4=CC=CS4)NC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C25H27N5O2S/c31-22-17-3-1-4-18(17)26-24(28-22)30-21(10-19(29-30)20-5-2-6-33-20)27-23(32)25-11-14-7-15(12-25)9-16(8-14)13-25/h2,5-6,10,14-16H,1,3-4,7-9,11-13H2,(H,27,32)(H,26,28,31)