ethyl 3-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-[butyl(methyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O4/c1-4-6-10-22(3)17-15(23(25)26)16(19-12-20-17)21-14-9-7-8-13(11-14)18(24)27-5-2/h7-9,11-12H,4-6,10H2,1-3H3,(H,19,20,21)