N'-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide

Systemtic Name: N'-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide Openeye Name: N'-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide CAS Name: N'-[6-(hexadecylamino)-5-nitro-4-pyrimidinyl]-1-naphthalenecarbohydrazide IUPAC Name: N'-[6-(hexadecylamino)-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide Traditional Name: N'-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide Formula: C31H44N6O3 MolecularWeight: 548.71946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NNC(=O)C2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NNC(=O)C2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C31H44N6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-32-29-28(37(39)40)30(34-24-33-29)35-36-31(38)27-22-18-20-25-19-15-16-21-26(25)27/h15-16,18-22,24H,2-14,17,23H2,1H3,(H,36,38)(H2,32,33,34,35)