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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6

InChI

InChI=1S/C28H37N5O/c1-19-25(15-21-6-4-3-5-7-21)26(30-20(2)29-19)32-8-10-33(11-9-32)27(34)31-28-16-22-12-23(17-28)14-24(13-22)18-28/h3-7,22-24H,8-18H2,1-2H3,(H,31,34)