6-morpholin-4-yl-5-nitro-N2-phenethyl-pyrimidine-2,4-diamine

Systemtic Name: 6-morpholin-4-yl-5-nitro-N2-phenethyl-pyrimidine-2,4-diamine Openeye Name: 6-morpholino-5-nitro-N2-phenethyl-pyrimidine-2,4-diamine CAS Name: 6-(4-morpholinyl)-5-nitro-N2-phenethylpyrimidine-2,4-diamine IUPAC Name: 6-morpholin-4-yl-5-nitro-2-N-phenethylpyrimidine-2,4-diamine Traditional Name: (4-amino-6-morpholino-5-nitro-pyrimidin-2-yl)-phenethyl-amine Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O3/c17-14-13(22(23)24)15(21-8-10-25-11-9-21)20-16(19-14)18-7-6-12-4-2-1-3-5-12/h1-5H,6-11H2,(H3,17,18,19,20)