5-[(3-morpholin-4-ylsulfonylphenyl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[(3-morpholin-4-ylsulfonylphenyl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(3-morpholinosulfonylphenyl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[[3-(4-morpholinylsulfonyl)phenyl]methyl]-1-(2-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(3-morpholin-4-ylsulfonylphenyl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(3-morpholinosulfonylbenzyl)-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H20N6O6S MolecularWeight: 496.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O6S/c29-22-18-13-24-27(19-6-1-2-7-20(19)28(30)31)21(18)23-15-25(22)14-16-4-3-5-17(12-16)35(32,33)26-8-10-34-11-9-26/h1-7,12-13,15H,8-11,14H2