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

Systemtic Name: 2-(2-dimethylaminoethylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(2-dimethylaminoethylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-(2-dimethylaminoethylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-(2-dimethylaminoethylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(2-dimethylaminoethylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C12H16N5O3+ MolecularWeight: 278.28714

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=C(C(=O)[N+]2=CC=CC=C2N1)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNC1=C(C(=O)[N+]2=CC=CC=C2N1)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O3/c1-15(2)8-6-13-11-10(17(19)20)12(18)16-7-4-3-5-9(16)14-11/h3-5,7H,6,8H2,1-2H3,(H,13,18)/p+1