N-[4,6-bis(azanyl)pyrimidin-5-yl]-3-nitro-benzamide

Systemtic Name: N-[4,6-bis(azanyl)pyrimidin-5-yl]-3-nitro-benzamide Openeye Name: N-(4,6-diaminopyrimidin-5-yl)-3-nitro-benzamide CAS Name: N-(4,6-diamino-5-pyrimidinyl)-3-nitrobenzamide IUPAC Name: N-(4,6-diaminopyrimidin-5-yl)-3-nitrobenzamide Traditional Name: N-(4,6-diaminopyrimidin-5-yl)-3-nitro-benzamide Formula: C11H10N6O3 MolecularWeight: 274.2355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N6O3/c12-9-8(10(13)15-5-14-9)16-11(18)6-2-1-3-7(4-6)17(19)20/h1-5H,(H,16,18)(H4,12,13,14,15)