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

Systemtic Name: 6-[(3-bromophenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(3-bromophenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(3-bromophenyl)methylthio]-5-(4-ethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(3-bromophenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(3-bromobenzyl)thio]-5-(4-ethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H17BrN4OS MolecularWeight: 441.34418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=CC=C4)Br

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C20H17BrN4OS/c1-2-13-6-8-16(9-7-13)25-19(26)17-11-22-24-18(17)23-20(25)27-12-14-4-3-5-15(21)10-14/h3-11H,2,12H2,1H3,(H,22,24)