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

Systemtic Name: propan-2-yl 4-[4-(1-adamantylcarbonyl)-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isopropyl 4-[4-(adamantane-1-carbonyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[1-adamantyl(oxo)methyl]-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(adamantane-1-carbonyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(adamantane-1-carbonyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid isopropyl ester Formula: C32H40N4O4 MolecularWeight: 544.6844

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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)C6=CC=CC=C6)C)C(=O)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C32H40N4O4/c1-19(2)40-30(38)26-21(4)33-28(25-8-6-5-7-9-25)34-27(26)29(37)35-10-11-36(20(3)18-35)31(39)32-15-22-12-23(16-32)14-24(13-22)17-32/h5-9,19-20,22-24H,10-18H2,1-4H3