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

Systemtic Name: N6-hexadecyl-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-hexadecyl-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-hexadecyl-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C28H45N5O2 MolecularWeight: 483.6892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H45N5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-29-27-26(33(34)35)28(31-24-30-27)32(2)23-25-20-17-16-18-21-25/h16-18,20-21,24H,3-15,19,22-23H2,1-2H3,(H,29,30,31)