3-[5-[[3-(diphenylmethyl)phenyl]amino]pentyl]-6-methylsulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-[5-[[3-(diphenylmethyl)phenyl]amino]pentyl]-6-methylsulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-[5-(3-benzhydrylanilino)pentyl]-6-methylsulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-[5-[3-(diphenylmethyl)anilino]pentyl]-6-(methylthio)-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-[5-(3-benzhydrylanilino)pentyl]-6-methylsulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-[5-(3-benzhydrylanilino)pentyl]-6-(methylthio)-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Formula: C30H31N5OS MolecularWeight: 509.66504

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(NNC2=N1)CCCCCNC3=CC=CC(=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CSC1=NC(=O)C2=C(NNC2=N1)CCCCCNC3=CC=CC(=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H31N5OS/c1-37-30-32-28-27(29(36)33-30)25(34-35-28)18-9-4-10-19-31-24-17-11-16-23(20-24)26(21-12-5-2-6-13-21)22-14-7-3-8-15-22/h2-3,5-8,11-17,20,26,31H,4,9-10,18-19H2,1H3,(H2,32,33,34,35,36)