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

Systemtic Name: 1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-imine Openeye Name: 1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-(2-morpholinoethyl)pyrazolo[3,4-d]pyrimidin-4-imine CAS Name: 1-methyl-3-(1-methyl-5-nitro-2-imidazolyl)-5-[2-(4-morpholinyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinimine IUPAC Name: 1-methyl-3-(1-methyl-5-nitroimidazol-2-yl)-5-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-imine Traditional Name: [1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-(2-morpholinoethyl)pyrazolo[3,4-d]pyrimidin-4-ylidene]amine Formula: C16H21N9O3 MolecularWeight: 387.39644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=NN(C3=C2C(=N)N(C=N3)CCN4CCOCC4)C)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C2=NN(C3=C2C(=N)N(C=N3)CCN4CCOCC4)C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N9O3/c1-21-11(25(26)27)9-18-16(21)13-12-14(17)24(10-19-15(12)22(2)20-13)4-3-23-5-7-28-8-6-23/h9-10,17H,3-8H2,1-2H3