methyl 2-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-[butyl(methyl)amino]-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl 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-])N(C)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])N(C)C2=CC=CC=C2C(=O)OC

InChI

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