methyl 4-methyl-6-[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-methyl-6-[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]-2-phenyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-methyl-6-[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[2-(4-methyl-1-piperazinyl)-5-nitrophenyl]-2-phenyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-6-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-[2-(4-methylpiperazino)-5-nitro-phenyl]-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)OC)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)OC)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C24H25N5O4/c1-16-21(24(30)33-3)22(26-23(25-16)17-7-5-4-6-8-17)19-15-18(29(31)32)9-10-20(19)28-13-11-27(2)12-14-28/h4-10,15H,11-14H2,1-3H3