N6-hexadecyl-N4-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-hexadecyl-N4-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-N4-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-N4-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-4-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-(3-methoxypropylamino)-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)NCCCOC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H45N5O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25-23-22(29(30)31)24(28-21-27-23)26-19-17-20-32-2/h21H,3-20H2,1-2H3,(H2,25,26,27,28)