1-adamantyl-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(2,6-dimethyl-5-p-anisyl-pyrimidin-4-yl)piperazino]methanone Formula: C29H38N4O2 MolecularWeight: 474.63762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=C(C=C6)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=C(C=C6)OC

InChI

InChI=1S/C29H38N4O2/c1-19-26(15-21-4-6-25(35-3)7-5-21)27(31-20(2)30-19)32-8-10-33(11-9-32)28(34)29-16-22-12-23(17-29)14-24(13-22)18-29/h4-7,22-24H,8-18H2,1-3H3