N-[4-[[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-(hexadecylamino)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(hexadecylamino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-(cetylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C28H44N6O3 MolecularWeight: 512.68736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44N6O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-29-27-26(34(36)37)28(31-22-30-27)33-25-19-17-24(18-20-25)32-23(2)35/h17-20,22H,3-16,21H2,1-2H3,(H,32,35)(H2,29,30,31,33)