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

Systemtic Name: N-(1-adamantyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazine-1-carboxamide Formula: C29H39N5O MolecularWeight: 473.65286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6

InChI

InChI=1S/C29H39N5O/c1-3-26-25(16-21-7-5-4-6-8-21)27(31-20(2)30-26)33-9-11-34(12-10-33)28(35)32-29-17-22-13-23(18-29)15-24(14-22)19-29/h4-8,22-24H,3,9-19H2,1-2H3,(H,32,35)