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

Systemtic Name: propan-2-yl 2,4-dimethyl-6-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-pyrimidine-5-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H25N5O5 MolecularWeight: 427.4537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O5/c1-13(2)31-21(28)18-14(3)22-15(4)23-19(18)20(27)25-11-9-24(10-12-25)16-5-7-17(8-6-16)26(29)30/h5-8,13H,9-12H2,1-4H3