N4-(1-methoxypropan-2-yl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(1-methoxypropan-2-yl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-(2-methoxy-1-methyl-ethyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-(1-methoxypropan-2-yl)-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-(1-methoxypropan-2-yl)-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: (2-methoxy-1-methyl-ethyl)-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amine Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O3/c1-12(10-24-2)20-16-14(21(22)23)15(18-11-19-16)17-9-8-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H2,17,18,19,20)