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

Systemtic Name: N6-hexadecyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C27H43N5O2 MolecularWeight: 469.66262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C27H43N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-28-26-25(32(33)34)27(31-23-30-26)29-22-24-19-16-15-17-20-24/h15-17,19-20,23H,2-14,18,21-22H2,1H3,(H2,28,29,30,31)