6-[(3-bromophenyl)methylsulfanyl]-5-(3-chloranyl-4-methyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(3-bromophenyl)methylsulfanyl]-5-(3-chloranyl-4-methyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(3-bromophenyl)methylsulfanyl]-5-(3-chloro-4-methyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(3-bromophenyl)methylthio]-5-(3-chloro-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(3-bromophenyl)methylsulfanyl]-5-(3-chloro-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(3-bromobenzyl)thio]-5-(3-chloro-4-methyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H14BrClN4OS MolecularWeight: 461.76266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=CC=C4)Br)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=CC=C4)Br)Cl

InChI

InChI=1S/C19H14BrClN4OS/c1-11-5-6-14(8-16(11)21)25-18(26)15-9-22-24-17(15)23-19(25)27-10-12-3-2-4-13(20)7-12/h2-9H,10H2,1H3,(H,22,24)