N6-hexadecyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine

Systemtic Name: N6-hexadecyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-cetyl-amine Formula: C26H41N5O2 MolecularWeight: 455.63604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H41N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-27-25-24(31(32)33)26(29-22-28-25)30-23-19-16-15-17-20-23/h15-17,19-20,22H,2-14,18,21H2,1H3,(H2,27,28,29,30)