potassium 5-azanyl-1-(phenylmethyl)-6-sulfanylidene-pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: potassium 5-azanyl-1-(phenylmethyl)-6-sulfanylidene-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: potassium 5-amino-1-benzyl-6-thioxo-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: potassium 5-amino-1-(phenylmethyl)-6-sulfanylidene-4-pyrazolo[3,4-d]pyrimidinolate IUPAC Name: potassium 5-amino-1-benzyl-6-sulfanylidenepyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: potassium 5-amino-1-benzyl-6-thioxo-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C12H10KN5OS MolecularWeight: 311.404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=NC(=S)N(C(=C3C=N2)[O-])N.[K+]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=NC(=S)N(C(=C3C=N2)[O-])N.[K+]

InChI

InChI=1S/C12H11N5OS.K/c13-17-11(18)9-6-14-16(10(9)15-12(17)19)7-8-4-2-1-3-5-8;/h1-6,18H,7,13H2;/q;+1/p-1