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

Systemtic Name: methyl 4-[4-(1-adamantylcarbamoyl)-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-(1-adamantylcarbamoyl)-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-methyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(1-adamantylamino)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(1-adamantylcarbamoyl)-3-methylpiperazine-1-carbonyl]-2-methyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-[4-(1-adamantylcarbamoyl)-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C27H39N5O4 MolecularWeight: 497.62966

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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)C)C(C)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H39N5O4/c1-15(2)22-21(25(34)36-5)23(29-17(4)28-22)24(33)31-6-7-32(16(3)14-31)26(35)30-27-11-18-8-19(12-27)10-20(9-18)13-27/h15-16,18-20H,6-14H2,1-5H3,(H,30,35)