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N6-hexadecyl-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine

N6-hexadecyl-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine

Systemtic Name:N6-hexadecyl-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine
Openeye Name:N6-hexadecyl-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine
CAS Name:N6-hexadecyl-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine
IUPAC Name:6-N-hexadecyl-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
Traditional Name:cetyl-[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amine
Formula: C28H45N5O2
MolecularWeight: 483.6892
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NC(C)C2=CC=CC=C2)[N+](=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NC(C)C2=CC=CC=C2)[N+](=O)[O-]


InChI

InChI=1S/C28H45N5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-29-27-26(33(34)35)28(31-23-30-27)32-24(2)25-20-17-16-18-21-25/h16-18,20-21,23-24H,3-15,19,22H2,1-2H3,(H2,29,30,31,32)


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