N6-hexadecyl-N4-(1-methoxypropan-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-hexadecyl-N4-(1-methoxypropan-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-N4-(2-methoxy-1-methyl-ethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-N4-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-4-N-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-[(2-methoxy-1-methyl-ethyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C24H45N5O3 MolecularWeight: 451.6458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H45N5O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-23-22(29(30)31)24(27-20-26-23)28-21(2)19-32-3/h20-21H,4-19H2,1-3H3,(H2,25,26,27,28)