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

Systemtic Name: 2-(3-methylbutylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(isopentylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-(3-methylbutylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-(3-methylbutylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(isoamylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C13H17N4O3+ MolecularWeight: 277.29908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3/c1-9(2)6-7-14-12-11(17(19)20)13(18)16-8-4-3-5-10(16)15-12/h3-5,8-9H,6-7H2,1-2H3,(H,14,18)/p+1