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N6-hexadecyl-N4-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine

N6-hexadecyl-N4-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name:N6-hexadecyl-N4-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine
Openeye Name:N6-hexadecyl-N4-(1-naphthyl)-5-nitro-pyrimidine-4,6-diamine
CAS Name:N6-hexadecyl-N4-(1-naphthalenyl)-5-nitropyrimidine-4,6-diamine
IUPAC Name:6-N-hexadecyl-4-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine
Traditional Name:cetyl-[6-(1-naphthylamino)-5-nitro-pyrimidin-4-yl]amine
Formula: C30H43N5O2
MolecularWeight: 505.69472
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC3=CC=CC=C32


Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC3=CC=CC=C32


InChI

InChI=1S/C30H43N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-31-29-28(35(36)37)30(33-24-32-29)34-27-22-18-20-25-19-15-16-21-26(25)27/h15-16,18-22,24H,2-14,17,23H2,1H3,(H2,31,32,33,34)


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