N6-ethyl-5-nitro-N4-phenethyl-pyrimidine-4,6-diamine

Systemtic Name: N6-ethyl-5-nitro-N4-phenethyl-pyrimidine-4,6-diamine Openeye Name: N6-ethyl-5-nitro-N4-phenethyl-pyrimidine-4,6-diamine CAS Name: N6-ethyl-5-nitro-N4-phenethylpyrimidine-4,6-diamine IUPAC Name: 6-N-ethyl-5-nitro-4-N-phenethylpyrimidine-4,6-diamine Traditional Name: ethyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amine Formula: C14H17N5O2 MolecularWeight: 287.31708

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C(=NC=N1)NCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C(=NC=N1)NCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O2/c1-2-15-13-12(19(20)21)14(18-10-17-13)16-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,15,16,17,18)