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

Systemtic Name: N-[4,6-bis(azanyl)pyrimidin-5-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: 4-chloro-N-(4,6-diaminopyrimidin-5-yl)-3-nitro-benzamide CAS Name: 4-chloro-N-(4,6-diamino-5-pyrimidinyl)-3-nitrobenzamide IUPAC Name: 4-chloro-N-(4,6-diaminopyrimidin-5-yl)-3-nitrobenzamide Traditional Name: 4-chloro-N-(4,6-diaminopyrimidin-5-yl)-3-nitro-benzamide Formula: C11H9ClN6O3 MolecularWeight: 308.68056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC2=C(N=CN=C2N)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC2=C(N=CN=C2N)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H9ClN6O3/c12-6-2-1-5(3-7(6)18(20)21)11(19)17-8-9(13)15-4-16-10(8)14/h1-4H,(H,17,19)(H4,13,14,15,16)