N6-(3-methoxypropyl)-5-nitro-N4-phenethyl-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methoxypropyl)-5-nitro-N4-phenethyl-pyrimidine-4,6-diamine Openeye Name: N6-(3-methoxypropyl)-5-nitro-N4-phenethyl-pyrimidine-4,6-diamine CAS Name: N6-(3-methoxypropyl)-5-nitro-N4-phenethylpyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methoxypropyl)-5-nitro-4-N-phenethylpyrimidine-4,6-diamine Traditional Name: 3-methoxypropyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amine Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CC=C2

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CC=C2

InChI

InChI=1S/C16H21N5O3/c1-24-11-5-9-17-15-14(21(22)23)16(20-12-19-15)18-10-8-13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3,(H2,17,18,19,20)