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

Systemtic Name: ethyl 4-[4-(1-adamantylcarbamoyl)-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(1-adamantylcarbamoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(1-adamantylamino)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1-adamantylcarbamoyl)-3-methylpiperazine-1-carbonyl]-2-methyl-6-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(1-adamantylcarbamoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C31H39N5O4 MolecularWeight: 545.67246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)C(=O)NC34CC5CC(C3)CC(C5)C4)C)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)C(=O)NC34CC5CC(C3)CC(C5)C4)C)C6=CC=CC=C6

InChI

InChI=1S/C31H39N5O4/c1-4-40-29(38)25-26(24-8-6-5-7-9-24)32-20(3)33-27(25)28(37)35-10-11-36(19(2)18-35)30(39)34-31-15-21-12-22(16-31)14-23(13-21)17-31/h5-9,19,21-23H,4,10-18H2,1-3H3,(H,34,39)