ethyl 4-[[6-[(4-butylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-[(4-butylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(4-butylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-(4-butylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C23H25N5O4/c1-3-5-6-16-7-11-18(12-8-16)26-21-20(28(30)31)22(25-15-24-21)27-19-13-9-17(10-14-19)23(29)32-4-2/h7-15H,3-6H2,1-2H3,(H2,24,25,26,27)