N-(3-bromophenyl)-1-methyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(3-bromophenyl)-1-methyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(3-bromophenyl)-1-methyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(3-bromophenyl)-1-methyl-6-(methylthio)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(3-bromophenyl)-1-methyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (3-bromophenyl)-[1-methyl-6-(methylthio)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C13H12BrN5S MolecularWeight: 350.23688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)SC)NC3=CC(=CC=C3)Br

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)SC)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C13H12BrN5S/c1-19-12-10(7-15-19)11(17-13(18-12)20-2)16-9-5-3-4-8(14)6-9/h3-7H,1-2H3,(H,16,17,18)