5-(3-chloranyl-2-methyl-phenyl)-3-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 5-(3-chloranyl-2-methyl-phenyl)-3-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 5-(3-chloro-2-methyl-phenyl)-3-methyl-6-(m-tolylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 5-(3-chloro-2-methylphenyl)-3-methyl-6-[(3-methylphenyl)methylthio]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 5-(3-chloro-2-methylphenyl)-3-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [5-(3-chloro-2-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=C(C(=CC=C4)Cl)C)N)C

Isomeric SMILES

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

InChI

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