N4-cyclohexyl-5-nitro-N2-phenethyl-pyrimidine-2,4,6-triamine

Systemtic Name: N4-cyclohexyl-5-nitro-N2-phenethyl-pyrimidine-2,4,6-triamine Openeye Name: N4-cyclohexyl-5-nitro-N2-phenethyl-pyrimidine-2,4,6-triamine CAS Name: N4-cyclohexyl-5-nitro-N2-phenethylpyrimidine-2,4,6-triamine IUPAC Name: 4-N-cyclohexyl-5-nitro-2-N-phenethylpyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(cyclohexylamino)-5-nitro-pyrimidin-2-yl]-phenethyl-amine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC3=CC=CC=C3

InChI

InChI=1S/C18H24N6O2/c19-16-15(24(25)26)17(21-14-9-5-2-6-10-14)23-18(22-16)20-12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H4,19,20,21,22,23)