1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-[(E)-octadec-9-enyl]pyrazolo[3,4-d]pyrimidin-4-imine

Systemtic Name: 1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-[(E)-octadec-9-enyl]pyrazolo[3,4-d]pyrimidin-4-imine Openeye Name: 1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-[(E)-octadec-9-enyl]pyrazolo[3,4-d]pyrimidin-4-imine CAS Name: 1-methyl-3-(1-methyl-5-nitro-2-imidazolyl)-5-[(E)-octadec-9-enyl]-4-pyrazolo[3,4-d]pyrimidinimine IUPAC Name: 1-methyl-3-(1-methyl-5-nitroimidazol-2-yl)-5-[(E)-octadec-9-enyl]pyrazolo[3,4-d]pyrimidin-4-imine Traditional Name: [1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-[(E)-octadec-9-enyl]pyrazolo[3,4-d]pyrimidin-4-ylidene]amine Formula: C28H44N8O2 MolecularWeight: 524.70136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN1C=NC2=C(C1=N)C(=NN2C)C3=NC=C(N3C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN1C=NC2=C(C1=N)C(=NN2C)C3=NC=C(N3C)[N+](=O)[O-]

InChI

InChI=1S/C28H44N8O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35-22-31-27-24(26(35)29)25(32-34(27)3)28-30-21-23(33(28)2)36(37)38/h11-12,21-22,29H,4-10,13-20H2,1-3H3/b12-11+,29-26?