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

Systemtic Name: 6-[(3-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(3-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(3-bromophenyl)methylthio]-5-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(3-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(3-bromobenzyl)thio]-5-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H15BrN4O2S MolecularWeight: 443.317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=CC=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C19H15BrN4O2S/c1-26-15-7-5-14(6-8-15)24-18(25)16-10-21-23-17(16)22-19(24)27-11-12-3-2-4-13(20)9-12/h2-10H,11H2,1H3,(H,21,23)