6-butylsulfanyl-5-(4-chlorophenyl)-2-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-butylsulfanyl-5-(4-chlorophenyl)-2-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 2-benzyl-6-butylsulfanyl-5-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(butylthio)-5-(4-chlorophenyl)-2-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 2-benzyl-6-butylsulfanyl-5-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 2-benzyl-6-(butylthio)-5-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H21ClN4OS MolecularWeight: 424.94634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=NN(C=C2C(=O)N1C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CCCCSC1=NC2=NN(C=C2C(=O)N1C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H21ClN4OS/c1-2-3-13-29-22-24-20-19(15-26(25-20)14-16-7-5-4-6-8-16)21(28)27(22)18-11-9-17(23)10-12-18/h4-12,15H,2-3,13-14H2,1H3