N6-hexadecyl-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N6-hexadecyl-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-5-nitro-4-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: cetyl-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C32H45N5O3 MolecularWeight: 547.7314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C32H45N5O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-33-31-30(37(38)39)32(35-26-34-31)36-27-21-23-29(24-22-27)40-28-19-16-15-17-20-28/h15-17,19-24,26H,2-14,18,25H2,1H3,(H2,33,34,35,36)