1-adamantyl-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazino]methanone Formula: C29H38N4O MolecularWeight: 458.63822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6

InChI

InChI=1S/C29H38N4O/c1-3-26-25(16-21-7-5-4-6-8-21)27(31-20(2)30-26)32-9-11-33(12-10-32)28(34)29-17-22-13-23(18-29)15-24(14-22)19-29/h4-8,22-24H,3,9-19H2,1-2H3