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

Systemtic Name: methyl 4-[[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(isopentylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(3-methylbutylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(3-methylbutylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C17H21N5O4 MolecularWeight: 359.37974

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O4/c1-11(2)8-9-18-15-14(22(24)25)16(20-10-19-15)21-13-6-4-12(5-7-13)17(23)26-3/h4-7,10-11H,8-9H2,1-3H3,(H2,18,19,20,21)