5-nitroso-N2-phenethyl-pyrimidine-2,4,6-triamine

Systemtic Name: 5-nitroso-N2-phenethyl-pyrimidine-2,4,6-triamine Openeye Name: 5-nitroso-N2-phenethyl-pyrimidine-2,4,6-triamine CAS Name: 5-nitroso-N2-phenethylpyrimidine-2,4,6-triamine IUPAC Name: 5-nitroso-2-N-phenethylpyrimidine-2,4,6-triamine Traditional Name: (4,6-diamino-5-nitroso-pyrimidin-2-yl)-phenethyl-amine Formula: C12H14N6O MolecularWeight: 258.27916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=C(C(=N2)N)N=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=C(C(=N2)N)N=O)N

InChI

InChI=1S/C12H14N6O/c13-10-9(18-19)11(14)17-12(16-10)15-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H5,13,14,15,16,17)