(phenylmethyl) 4-[4-(1-adamantylcarbonyl)-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 4-[4-(1-adamantylcarbonyl)-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: benzyl 4-[4-(adamantane-1-carbonyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[1-adamantyl(oxo)methyl]-3-methyl-1-piperazinyl]-oxomethyl]-2,6-dimethyl-5-pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(adamantane-1-carbonyl)-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-[4-(adamantane-1-carbonyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid benzyl ester Formula: C31H38N4O4 MolecularWeight: 530.65782

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)C5=C(C(=NC(=N5)C)C)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)C5=C(C(=NC(=N5)C)C)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C31H38N4O4/c1-19-17-34(9-10-35(19)30(38)31-14-23-11-24(15-31)13-25(12-23)16-31)28(36)27-26(20(2)32-21(3)33-27)29(37)39-18-22-7-5-4-6-8-22/h4-8,19,23-25H,9-18H2,1-3H3