methyl 2-[[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C24H26N6O4 MolecularWeight: 462.50104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=CC=C4C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=CC=C4C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C24H26N6O4/c1-16-7-6-10-20(17(16)2)28-11-13-29(14-12-28)23-21(30(32)33)22(25-15-26-23)27-19-9-5-4-8-18(19)24(31)34-3/h4-10,15H,11-14H2,1-3H3,(H,25,26,27)