N4-butan-2-yl-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine

Systemtic Name: N4-butan-2-yl-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-phenethyl-N4-sec-butyl-pyrimidine-4,6-diamine CAS Name: N4-butan-2-yl-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-butan-2-yl-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(phenethylamino)pyrimidin-4-yl]-sec-butyl-amine Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CC=C2

InChI

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