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

Systemtic Name: 2-[4-azanyl-5-(4-chloranyl-3-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[4-amino-5-(4-chloro-3-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[4-amino-5-(4-chloro-3-methylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[4-amino-5-(4-chloro-3-methylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[4-amino-5-(4-chloro-3-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-cyclohexyl-acetamide Formula: C21H25ClN6OS MolecularWeight: 444.9808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NC4CCCCC4)C)N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NC4CCCCC4)C)N)Cl

InChI

InChI=1S/C21H25ClN6OS/c1-12-10-15(8-9-16(12)22)28-19(23)18-13(2)26-27-20(18)25-21(28)30-11-17(29)24-14-6-4-3-5-7-14/h8-10,14H,3-7,11,23H2,1-2H3,(H,24,29)