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

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-3-methyl-6-(pyridin-2-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 5-(3-chloro-4-methyl-phenyl)-3-methyl-6-(2-pyridylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 5-(3-chloro-4-methylphenyl)-3-methyl-6-(2-pyridinylmethylthio)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 5-(3-chloro-4-methylphenyl)-3-methyl-6-(pyridin-2-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [5-(3-chloro-4-methyl-phenyl)-3-methyl-6-(2-pyridylmethylthio)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C19H17ClN6S MolecularWeight: 396.89648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C3C(=NN=C3N=C2SCC4=CC=CC=N4)C)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C3C(=NN=C3N=C2SCC4=CC=CC=N4)C)N)Cl

InChI

InChI=1S/C19H17ClN6S/c1-11-6-7-14(9-15(11)20)26-17(21)16-12(2)24-25-18(16)23-19(26)27-10-13-5-3-4-8-22-13/h3-9H,10,21H2,1-2H3