2-methylpropyl 4-[[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(isopentylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(3-methylbutylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(3-methylbutylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OCC(C)C

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OCC(C)C

InChI

InChI=1S/C20H27N5O4/c1-13(2)9-10-21-18-17(25(27)28)19(23-12-22-18)24-16-7-5-15(6-8-16)20(26)29-11-14(3)4/h5-8,12-14H,9-11H2,1-4H3,(H2,21,22,23,24)