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

Systemtic Name: 1-adamantyl-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]piperazino]methanone Formula: C30H40N4O MolecularWeight: 472.6648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H40N4O/c1-4-27-26(16-22-7-5-20(2)6-8-22)28(32-21(3)31-27)33-9-11-34(12-10-33)29(35)30-17-23-13-24(18-30)15-25(14-23)19-30/h5-8,23-25H,4,9-19H2,1-3H3