3-azanyl-5-[3-[(3-nitro-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[3-[(3-nitro-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[(4-keto-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Formula: C15H15N8O3+ MolecularWeight: 355.3314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)NC(=C(C2=O)[N+](=O)[O-])NCCCC3=C(C(=NN3)N)C#N

Isomeric SMILES

C1=CC=[N+]2C(=C1)NC(=C(C2=O)[N+](=O)[O-])NCCCC3=C(C(=NN3)N)C#N

InChI

InChI=1S/C15H14N8O3/c16-8-9-10(20-21-13(9)17)4-3-6-18-14-12(23(25)26)15(24)22-7-2-1-5-11(22)19-14/h1-2,5,7H,3-4,6H2,(H4,17,18,20,21,24)/p+1