2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N,N-bis(phenylmethyl)ethanamide

Systemtic Name: 2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N,N-bis(phenylmethyl)ethanamide Openeye Name: N,N-dibenzyl-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide CAS Name: 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N,N-bis(phenylmethyl)acetamide IUPAC Name: N,N-dibenzyl-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide Traditional Name: N,N-dibenzyl-2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide Formula: C27H23N5O2S MolecularWeight: 481.56882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

InChI

InChI=1S/C27H23N5O2S/c33-24(31(17-20-10-4-1-5-11-20)18-21-12-6-2-7-13-21)19-35-27-29-25-23(26(34)30-27)16-28-32(25)22-14-8-3-9-15-22/h1-16,28H,17-19H2