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

Systemtic Name: 5-nitro-N4-phenethyl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-phenethyl-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-phenethylpyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-phenethylpyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-phenethyl-amine Formula: C12H13N5O2 MolecularWeight: 259.26392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C12H13N5O2/c13-11-10(17(18)19)12(16-8-15-11)14-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,13,14,15,16)