N6-hexadecyl-5-nitro-N4-propan-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-hexadecyl-5-nitro-N4-propan-2-yl-pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-N4-isopropyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-5-nitro-N4-propan-2-ylpyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine Traditional Name: cetyl-[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C23H43N5O2 MolecularWeight: 421.61982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H43N5O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-22-21(28(29)30)23(26-19-25-22)27-20(2)3/h19-20H,4-18H2,1-3H3,(H2,24,25,26,27)