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

Systemtic Name: 2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N,N-bis(phenylmethyl)propanamide Openeye Name: N,N-dibenzyl-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide CAS Name: 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N,N-bis(phenylmethyl)propanamide IUPAC Name: N,N-dibenzyl-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide Traditional Name: N,N-dibenzyl-2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]propionamide Formula: C28H25N5O2S MolecularWeight: 495.5954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)SC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)SC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

InChI

InChI=1S/C28H25N5O2S/c1-20(27(35)32(18-21-11-5-2-6-12-21)19-22-13-7-3-8-14-22)36-28-30-25-24(26(34)31-28)17-29-33(25)23-15-9-4-10-16-23/h2-17,20,29H,18-19H2,1H3