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

Systemtic Name: N6-butyl-N4-ethyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-ethyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-ethyl-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-ethyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: [6-(butylamino)-5-nitro-pyrimidin-4-yl]-ethyl-phenyl-amine Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O2/c1-3-5-11-17-15-14(21(22)23)16(19-12-18-15)20(4-2)13-9-7-6-8-10-13/h6-10,12H,3-5,11H2,1-2H3,(H,17,18,19)