1-[3-[[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(isopentylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(3-methylbutylamino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(3-methylbutylamino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O3/c1-11(2)7-8-18-16-15(22(24)25)17(20-10-19-16)21-14-6-4-5-13(9-14)12(3)23/h4-6,9-11H,7-8H2,1-3H3,(H2,18,19,20,21)