3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)aniline

Systemtic Name: 3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)aniline Openeye Name: 3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)aniline CAS Name: 3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]aniline IUPAC Name: 3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)aniline Traditional Name: [3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]amine Formula: C12H11N5S MolecularWeight: 257.31424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)CSC2=NC=NC3=C2C=NN3

Isomeric SMILES

C1=CC(=CC(=C1)N)CSC2=NC=NC3=C2C=NN3

InChI

InChI=1S/C12H11N5S/c13-9-3-1-2-8(4-9)6-18-12-10-5-16-17-11(10)14-7-15-12/h1-5,7H,6,13H2,(H,14,15,16,17)