2-methoxyethyl 4-[4-(1-adamantylcarbamoyl)-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 4-[4-(1-adamantylcarbamoyl)-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 4-[4-(1-adamantylcarbamoyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(1-adamantylamino)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[4-(1-adamantylcarbamoyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(1-adamantylcarbamoyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C32H41N5O5 MolecularWeight: 575.69844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)C5=C(C(=NC(=N5)C6=CC=CC=C6)C)C(=O)OCCOC

Isomeric SMILES

CC1CN(CCN1C(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)C5=C(C(=NC(=N5)C6=CC=CC=C6)C)C(=O)OCCOC

InChI

InChI=1S/C32H41N5O5/c1-20-19-36(9-10-37(20)31(40)35-32-16-22-13-23(17-32)15-24(14-22)18-32)29(38)27-26(30(39)42-12-11-41-3)21(2)33-28(34-27)25-7-5-4-6-8-25/h4-8,20,22-24H,9-19H2,1-3H3,(H,35,40)