N-(1-adamantyl)-4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[5,6-dimethyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]piperazine-1-carboxamide Formula: C28H37N5O MolecularWeight: 459.62628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5)C)C

InChI

InChI=1S/C28H37N5O/c1-18-5-4-6-24(11-18)25-29-20(3)19(2)26(30-25)32-7-9-33(10-8-32)27(34)31-28-15-21-12-22(16-28)14-23(13-21)17-28/h4-6,11,21-23H,7-10,12-17H2,1-3H3,(H,31,34)