6-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-1-phenyl-5,6-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-1-phenyl-5,6-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]-1-phenyl-5,6-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-1-phenyl-5,6-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-1-phenyl-5,6-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[4-methoxy-3-[(2-pyridylthio)methyl]phenyl]-1-phenyl-5,6-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C24H21N5O2S MolecularWeight: 443.52084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)CSC5=CC=CC=N5

Isomeric SMILES

COC1=C(C=C(C=C1)C2NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)CSC5=CC=CC=N5

InChI

InChI=1S/C24H21N5O2S/c1-31-20-11-10-16(13-17(20)15-32-21-9-5-6-12-25-21)22-27-23-19(24(30)28-22)14-26-29(23)18-7-3-2-4-8-18/h2-14,22,26H,15H2,1H3,(H,28,30)