2-methoxyethyl 4-[4-(4-chloranyl-3-nitro-phenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 4-[4-(4-chloranyl-3-nitro-phenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 4-[4-(4-chloro-3-nitro-benzoyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(4-chloro-3-nitrophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[4-(4-chloro-3-nitrobenzoyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-chloro-3-nitro-benzoyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C28H28ClN5O7 MolecularWeight: 582.00422

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCCOC

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCCOC

InChI

InChI=1S/C28H28ClN5O7/c1-17-16-32(11-12-33(17)26(35)20-9-10-21(29)22(15-20)34(38)39)27(36)24-23(28(37)41-14-13-40-3)18(2)30-25(31-24)19-7-5-4-6-8-19/h4-10,15,17H,11-14,16H2,1-3H3