2-[4-azanyl-3-methyl-5-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethyl-ethanamide

Systemtic Name: 2-[4-azanyl-3-methyl-5-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethyl-ethanamide Openeye Name: 2-[4-amino-3-methyl-5-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethyl-acetamide CAS Name: 2-[[4-amino-3-methyl-5-(4-phenoxyphenyl)-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N,N-diethylacetamide IUPAC Name: 2-[4-amino-3-methyl-5-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethylacetamide Traditional Name: 2-[[4-amino-3-methyl-5-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N,N-diethyl-acetamide Formula: C24H26N6O2S MolecularWeight: 462.56724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=NN=C(C2=C(N1C3=CC=C(C=C3)OC4=CC=CC=C4)N)C

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=NN=C(C2=C(N1C3=CC=C(C=C3)OC4=CC=CC=C4)N)C

InChI

InChI=1S/C24H26N6O2S/c1-4-29(5-2)20(31)15-33-24-26-23-21(16(3)27-28-23)22(25)30(24)17-11-13-19(14-12-17)32-18-9-7-6-8-10-18/h6-14H,4-5,15,25H2,1-3H3