N6-hexadecyl-5-nitro-N4-prop-2-enyl-pyrimidine-4,6-diamine

Systemtic Name: N6-hexadecyl-5-nitro-N4-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N4-allyl-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-5-nitro-N4-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-5-nitro-4-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C23H41N5O2 MolecularWeight: 419.60394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC=C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC=C

InChI

InChI=1S/C23H41N5O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25-23-21(28(29)30)22(24-18-4-2)26-20-27-23/h4,20H,2-3,5-19H2,1H3,(H2,24,25,26,27)