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

Systemtic Name: 2-methylpropyl 4-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[butyl(methyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C20H27N5O4 MolecularWeight: 401.45948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O4/c1-5-6-11-24(4)19-17(25(27)28)18(21-13-22-19)23-16-9-7-15(8-10-16)20(26)29-12-14(2)3/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,21,22,23)