N6-butyl-5-nitro-N4-phenethyl-pyrimidine-4,6-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CC=C2

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CC=C2

InChI

InChI=1S/C16H21N5O2/c1-2-3-10-17-15-14(21(22)23)16(20-12-19-15)18-11-9-13-7-5-4-6-8-13/h4-8,12H,2-3,9-11H2,1H3,(H2,17,18,19,20)