4-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C20H15ClN4O2S MolecularWeight: 410.8767

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C20H15ClN4O2S/c21-16-8-13(9-17-18(16)27-7-6-26-17)11-28-20-15-10-24-25(19(15)22-12-23-20)14-4-2-1-3-5-14/h1-5,8-10,12H,6-7,11H2