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

Systemtic Name: N6-hexadecyl-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C34H49N5O2 MolecularWeight: 559.78516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C34H49N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-35-33-32(39(40)41)34(37-29-36-33)38(27-30-22-17-15-18-23-30)28-31-24-19-16-20-25-31/h15-20,22-25,29H,2-14,21,26-28H2,1H3,(H,35,36,37)