N6-butyl-N4-methyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-N4-methyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-methyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-methyl-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-methyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: [6-(butylamino)-5-nitro-pyrimidin-4-yl]-methyl-phenyl-amine Formula: C15H19N5O2 MolecularWeight: 301.34366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5O2/c1-3-4-10-16-14-13(20(21)22)15(18-11-17-14)19(2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,16,17,18)