2-(2-methylbutan-2-ylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-(2-methylbutan-2-ylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(1,1-dimethylpropylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-(2-methylbutan-2-ylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-(2-methylbutan-2-ylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(tert-amylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C13H17N4O3+ MolecularWeight: 277.29908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC1=C(C(=O)[N+]2=CC=CC=C2N1)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)NC1=C(C(=O)[N+]2=CC=CC=C2N1)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O3/c1-4-13(2,3)15-11-10(17(19)20)12(18)16-8-6-5-7-9(16)14-11/h5-8H,4H2,1-3H3,(H,15,18)/p+1