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

Systemtic Name: 2-[4-azanyl-5-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[4-amino-5-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-amino-5-(3-methoxyphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[4-amino-5-(3-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[4-amino-5-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenethyl-acetamide Formula: C23H24N6O2S MolecularWeight: 448.54066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NCCC3=CC=CC=C3)C4=CC(=CC=C4)OC)N

Isomeric SMILES

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NCCC3=CC=CC=C3)C4=CC(=CC=C4)OC)N

InChI

InChI=1S/C23H24N6O2S/c1-15-20-21(24)29(17-9-6-10-18(13-17)31-2)23(26-22(20)28-27-15)32-14-19(30)25-12-11-16-7-4-3-5-8-16/h3-10,13H,11-12,14,24H2,1-2H3,(H,25,30)