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

Systemtic Name: prop-2-enyl 4-[4-(1-adamantylcarbonyl)-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: allyl 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 prop-2-enyl ester IUPAC Name: prop-2-enyl 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 allyl ester Formula: C27H36N4O4 MolecularWeight: 480.59914

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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)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O4/c1-5-8-35-25(33)22-17(3)28-18(4)29-23(22)24(32)30-6-7-31(16(2)15-30)26(34)27-12-19-9-20(13-27)11-21(10-19)14-27/h5,16,19-21H,1,6-15H2,2-4H3