N-[4,6-bis(azanyl)pyrimidin-5-yl]-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-[4,6-bis(azanyl)pyrimidin-5-yl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-(4,6-diaminopyrimidin-5-yl)-2-(2-nitrophenoxy)acetamide CAS Name: N-(4,6-diamino-5-pyrimidinyl)-2-(2-nitrophenoxy)acetamide IUPAC Name: N-(4,6-diaminopyrimidin-5-yl)-2-(2-nitrophenoxy)acetamide Traditional Name: N-(4,6-diaminopyrimidin-5-yl)-2-(2-nitrophenoxy)acetamide Formula: C12H12N6O4 MolecularWeight: 304.26148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NC2=C(N=CN=C2N)N

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NC2=C(N=CN=C2N)N

InChI

InChI=1S/C12H12N6O4/c13-11-10(12(14)16-6-15-11)17-9(19)5-22-8-4-2-1-3-7(8)18(20)21/h1-4,6H,5H2,(H,17,19)(H4,13,14,15,16)