4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C18H20N4O2S MolecularWeight: 356.442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C18H20N4O2S/c1-4-23-15-6-12-5-11(2)24-16(12)7-13(15)9-25-18-14-8-21-22(3)17(14)19-10-20-18/h6-8,10-11H,4-5,9H2,1-3H3