(3-aminophenyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)methanethiol

Systemtic Name: (3-aminophenyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)methanethiol Openeye Name: (3-aminophenyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)methanethiol CAS Name: (3-aminophenyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)methanethiol IUPAC Name: (3-aminophenyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)methanethiol Traditional Name: (3-aminophenyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)methanethiol Formula: C12H11N5S MolecularWeight: 257.31424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)C(C2=C3C=NNC3=NC=N2)S

Isomeric SMILES

C1=CC(=CC(=C1)N)C(C2=C3C=NNC3=NC=N2)S

InChI

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