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

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

Systemtic Name:N6-hexadecyl-5-nitro-N4-quinolin-5-yl-pyrimidine-4,6-diamine
Openeye Name:N6-hexadecyl-5-nitro-N4-(5-quinolyl)pyrimidine-4,6-diamine
CAS Name:N6-hexadecyl-5-nitro-N4-(5-quinolinyl)pyrimidine-4,6-diamine
IUPAC Name:6-N-hexadecyl-5-nitro-4-N-quinolin-5-ylpyrimidine-4,6-diamine
Traditional Name:cetyl-[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]amine
Formula: C29H42N6O2
MolecularWeight: 506.68278
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC3=C2C=CC=N3


Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC3=C2C=CC=N3


InChI

InChI=1S/C29H42N6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-31-28-27(35(36)37)29(33-23-32-28)34-26-20-16-19-25-24(26)18-17-22-30-25/h16-20,22-23H,2-15,21H2,1H3,(H2,31,32,33,34)


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