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

Systemtic Name: 2-[[(2S)-3-methylbutan-2-yl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[(1S)-1,2-dimethylpropyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(2S)-3-methylbutan-2-yl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[(2S)-3-methylbutan-2-yl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(1S)-1,2-dimethylpropyl]amino]-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3/c1-8(2)9(3)14-12-11(17(19)20)13(18)16-7-5-4-6-10(16)15-12/h4-9H,1-3H3,(H,14,18)/p+1/t9-/m0/s1