N-[4,6-bis(azanyl)pyrimidin-5-yl]-2-(3-nitrophenyl)ethanamide

Systemtic Name: N-[4,6-bis(azanyl)pyrimidin-5-yl]-2-(3-nitrophenyl)ethanamide Openeye Name: N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide CAS Name: N-(4,6-diamino-5-pyrimidinyl)-2-(3-nitrophenyl)acetamide IUPAC Name: N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide Traditional Name: N-(4,6-diaminopyrimidin-5-yl)-2-(3-nitrophenyl)acetamide Formula: C12H12N6O3 MolecularWeight: 288.26208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N6O3/c13-11-10(12(14)16-6-15-11)17-9(19)5-7-2-1-3-8(4-7)18(20)21/h1-4,6H,5H2,(H,17,19)(H4,13,14,15,16)