ethyl 4-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[(2,6-diisopropylphenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[[2,6-di(propan-2-yl)anilino]-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-3-methylpiperazine-1-carbonyl]-2-methyl-6-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-[(2,6-diisopropylphenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C33H41N5O4 MolecularWeight: 571.70974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)C(=O)NC3=C(C=CC=C3C(C)C)C(C)C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)C(=O)NC3=C(C=CC=C3C(C)C)C(C)C)C)C4=CC=CC=C4

InChI

InChI=1S/C33H41N5O4/c1-8-42-32(40)27-28(24-13-10-9-11-14-24)34-23(7)35-30(27)31(39)37-17-18-38(22(6)19-37)33(41)36-29-25(20(2)3)15-12-16-26(29)21(4)5/h9-16,20-22H,8,17-19H2,1-7H3,(H,36,41)