5-(4-chloranyl-3-methyl-phenyl)-3-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 5-(4-chloranyl-3-methyl-phenyl)-3-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 5-(4-chloro-3-methyl-phenyl)-3-methyl-6-(m-tolylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 5-(4-chloro-3-methylphenyl)-3-methyl-6-[(3-methylphenyl)methylthio]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 5-(4-chloro-3-methylphenyl)-3-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [5-(4-chloro-3-methyl-phenyl)-3-methyl-6-[(3-methylbenzyl)thio]pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C21H20ClN5S MolecularWeight: 409.935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=NN=C(C3=C(N2C4=CC(=C(C=C4)Cl)C)N)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=NN=C(C3=C(N2C4=CC(=C(C=C4)Cl)C)N)C

InChI

InChI=1S/C21H20ClN5S/c1-12-5-4-6-15(9-12)11-28-21-24-20-18(14(3)25-26-20)19(23)27(21)16-7-8-17(22)13(2)10-16/h4-10H,11,23H2,1-3H3