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N4-(4-butylphenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine

N4-(4-butylphenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine

Systemtic Name:N4-(4-butylphenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine
Openeye Name:N4-(4-butylphenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine
CAS Name:N4-(4-butylphenyl)-5-nitro-N6-phenethylpyrimidine-4,6-diamine
IUPAC Name:4-N-(4-butylphenyl)-5-nitro-6-N-phenethylpyrimidine-4,6-diamine
Traditional Name:[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-phenethyl-amine
Formula: C22H25N5O2
MolecularWeight: 391.4662
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]


Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]


InChI

InChI=1S/C22H25N5O2/c1-2-3-7-18-10-12-19(13-11-18)26-22-20(27(28)29)21(24-16-25-22)23-15-14-17-8-5-4-6-9-17/h4-6,8-13,16H,2-3,7,14-15H2,1H3,(H2,23,24,25,26)


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