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

Systemtic Name: N4-(4-butoxyphenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-(4-butoxyphenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-(4-butoxyphenyl)-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butoxyphenyl)-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-phenethyl-amine Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3/c1-2-3-15-30-19-11-9-18(10-12-19)26-22-20(27(28)29)21(24-16-25-22)23-14-13-17-7-5-4-6-8-17/h4-12,16H,2-3,13-15H2,1H3,(H2,23,24,25,26)