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

Systemtic Name: N4-butyl-N4-methyl-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-butyl-N4-methyl-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-butyl-N4-methyl-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-4-N-methyl-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: butyl-methyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amine Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O2/c1-3-4-12-21(2)17-15(22(23)24)16(19-13-20-17)18-11-10-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,18,19,20)