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

Systemtic Name: N4-(diphenylmethyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-benzhydryl-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(diphenylmethyl)-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-benzhydryl-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzhydryl-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C33H47N5O2 MolecularWeight: 545.75858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NC(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NC(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C33H47N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-34-32-31(38(39)40)33(36-27-35-32)37-30(28-22-17-15-18-23-28)29-24-19-16-20-25-29/h15-20,22-25,27,30H,2-14,21,26H2,1H3,(H2,34,35,36,37)