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

Systemtic Name: 3-azanyl-5-[3-[methyl-(3-nitro-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[methyl-(3-nitro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[methyl-(3-nitro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)amino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[methyl-(3-nitro-4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[(4-keto-3-nitro-pyrido[1,2-a]pyrimidin-2-yl)-methyl-amino]propyl]-1H-pyrazole-4-carbonitrile Formula: C16H16N8O3 MolecularWeight: 368.35004

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=C(C(=NN1)N)C#N)C2=C(C(=O)N3C=CC=CC3=N2)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC1=C(C(=NN1)N)C#N)C2=C(C(=O)N3C=CC=CC3=N2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N8O3/c1-22(7-4-5-11-10(9-17)14(18)21-20-11)15-13(24(26)27)16(25)23-8-3-2-6-12(23)19-15/h2-3,6,8H,4-5,7H2,1H3,(H3,18,20,21)