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

Systemtic Name: 1-[3-[[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(hexadecylamino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(hexadecylamino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(cetylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C28H43N5O3 MolecularWeight: 497.67272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C28H43N5O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-27-26(33(35)36)28(31-22-30-27)32-25-19-17-18-24(21-25)23(2)34/h17-19,21-22H,3-16,20H2,1-2H3,(H2,29,30,31,32)