6-(pentylamino)-1,5-diphenyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-(pentylamino)-1,5-diphenyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-benzylsulfanyl-6-(pentylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(pentylamino)-1,5-diphenyl-3-(phenylmethylthio)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 3-benzylsulfanyl-6-(pentylamino)-1,5-diphenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(amylamino)-3-(benzylthio)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C29H29N5OS MolecularWeight: 495.63846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC2=C(C(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)N1C5=CC=CC=C5

Isomeric SMILES

CCCCCNC1=NC2=C(C(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)N1C5=CC=CC=C5

InChI

InChI=1S/C29H29N5OS/c1-2-3-13-20-30-29-31-26-25(28(35)33(29)23-16-9-5-10-17-23)27(36-21-22-14-7-4-8-15-22)32-34(26)24-18-11-6-12-19-24/h4-12,14-19H,2-3,13,20-21H2,1H3,(H,30,31)