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

Systemtic Name: ethyl 4-[4-[(2,3-dimethylphenyl)carbamoyl]-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[(2,3-dimethylphenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(2,3-dimethylanilino)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2,3-dimethylphenyl)carbamoyl]-3-methylpiperazine-1-carbonyl]-2-methyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-[(2,3-dimethylphenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H35N5O4 MolecularWeight: 481.5872

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)NC3=CC=CC(=C3C)C)C

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)NC3=CC=CC(=C3C)C)C

InChI

InChI=1S/C26H35N5O4/c1-7-10-21-22(25(33)35-8-2)23(28-19(6)27-21)24(32)30-13-14-31(17(4)15-30)26(34)29-20-12-9-11-16(3)18(20)5/h9,11-12,17H,7-8,10,13-15H2,1-6H3,(H,29,34)