2-methoxyethyl 2,4-dimethyl-6-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-pyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 2,4-dimethyl-6-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 2,4-dimethyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-5-pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2,4-dimethyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrimidine-5-carboxylate Traditional Name: 2,4-dimethyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C21H25N5O6 MolecularWeight: 443.4531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)OCCOC)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)OCCOC)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N5O6/c1-14-18(21(28)32-13-12-31-3)19(23-15(2)22-14)20(27)25-10-8-24(9-11-25)16-4-6-17(7-5-16)26(29)30/h4-7H,8-13H2,1-3H3