1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-propyl-pyrazolo[3,4-d]pyrimidin-4-imine

Systemtic Name: 1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-propyl-pyrazolo[3,4-d]pyrimidin-4-imine Openeye Name: 1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-propyl-pyrazolo[3,4-d]pyrimidin-4-imine CAS Name: 1-methyl-3-(1-methyl-5-nitro-2-imidazolyl)-5-propyl-4-pyrazolo[3,4-d]pyrimidinimine IUPAC Name: 1-methyl-3-(1-methyl-5-nitroimidazol-2-yl)-5-propylpyrazolo[3,4-d]pyrimidin-4-imine Traditional Name: [1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-propyl-pyrazolo[3,4-d]pyrimidin-4-ylidene]amine Formula: C13H16N8O2 MolecularWeight: 316.31854

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C(C1=N)C(=NN2C)C3=NC=C(N3C)[N+](=O)[O-]

Isomeric SMILES

CCCN1C=NC2=C(C1=N)C(=NN2C)C3=NC=C(N3C)[N+](=O)[O-]

InChI

InChI=1S/C13H16N8O2/c1-4-5-20-7-16-12-9(11(20)14)10(17-19(12)3)13-15-6-8(18(13)2)21(22)23/h6-7,14H,4-5H2,1-3H3