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

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

Systemtic Name:N6-hexadecyl-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine
Openeye Name:N6-hexadecyl-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine
CAS Name:N6-hexadecyl-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine
IUPAC Name:6-N-hexadecyl-5-nitro-4-N-(3-nitrophenyl)pyrimidine-4,6-diamine
Traditional Name:cetyl-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amine
Formula: C26H40N6O4
MolecularWeight: 500.6336
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)[N+](=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)[N+](=O)[O-]


InChI

InChI=1S/C26H40N6O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-27-25-24(32(35)36)26(29-21-28-25)30-22-17-16-18-23(20-22)31(33)34/h16-18,20-21H,2-15,19H2,1H3,(H2,27,28,29,30)


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