3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(phenylsulfonylamino)phenyl]propanamide

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(phenylsulfonylamino)phenyl]propanamide Openeye Name: N-[3-(benzenesulfonamido)phenyl]-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-[3-(benzenesulfonamido)phenyl]-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-[3-(benzenesulfonamido)phenyl]-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-[3-(benzenesulfonamido)phenyl]-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C21H20N6O4S MolecularWeight: 452.4863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N6O4S/c1-26-20-18(13-23-26)21(29)27(14-22-20)11-10-19(28)24-15-6-5-7-16(12-15)25-32(30,31)17-8-3-2-4-9-17/h2-9,12-14,25H,10-11H2,1H3,(H,24,28)