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

Systemtic Name: 2-[4-azanyl-5-(3-chloranyl-4-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[4-amino-5-(3-chloro-4-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-amino-5-(3-chloro-4-methylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[4-amino-5-(3-chloro-4-methylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[4-amino-5-(3-chloro-4-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenethyl-acetamide Formula: C23H23ClN6OS MolecularWeight: 466.98632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NCCC4=CC=CC=C4)C)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NCCC4=CC=CC=C4)C)N)Cl

InChI

InChI=1S/C23H23ClN6OS/c1-14-8-9-17(12-18(14)24)30-21(25)20-15(2)28-29-22(20)27-23(30)32-13-19(31)26-11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13,25H2,1-2H3,(H,26,31)