N4,N6-dibutyl-5-nitro-2-phenyl-pyrimidine-4,6-diamine

Systemtic Name: N4,N6-dibutyl-5-nitro-2-phenyl-pyrimidine-4,6-diamine Openeye Name: N4,N6-dibutyl-5-nitro-2-phenyl-pyrimidine-4,6-diamine CAS Name: N4,N6-dibutyl-5-nitro-2-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-dibutyl-5-nitro-2-phenylpyrimidine-4,6-diamine Traditional Name: butyl-[6-(butylamino)-5-nitro-2-phenyl-pyrimidin-4-yl]amine Formula: C18H25N5O2 MolecularWeight: 343.4234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC(=N1)C2=CC=CC=C2)NCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC(=N1)C2=CC=CC=C2)NCCCC)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O2/c1-3-5-12-19-17-15(23(24)25)18(20-13-6-4-2)22-16(21-17)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3,(H2,19,20,21,22)