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

Systemtic Name: N-[2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]adamantane-1-carboxamide Openeye Name: N-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]adamantane-1-carboxamide CAS Name: N-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]adamantane-1-carboxamide Traditional Name: N-[2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]adamantane-1-carboxamide Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H29N5O2S/c1-2-4-18-10-22(31)28-24(26-18)30-21(11-19(29-30)20-5-3-6-33-20)27-23(32)25-12-15-7-16(13-25)9-17(8-15)14-25/h3,5-6,10-11,15-17H,2,4,7-9,12-14H2,1H3,(H,27,32)(H,26,28,31)