potassium 5-azanyl-4-oxidanylidene-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-6-thiolate

Systemtic Name: potassium 5-azanyl-4-oxidanylidene-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-6-thiolate Openeye Name: potassium 5-amino-1-benzyl-4-oxo-pyrazolo[3,4-d]pyrimidine-6-thiolate CAS Name: potassium 5-amino-4-oxo-1-(phenylmethyl)-6-pyrazolo[3,4-d]pyrimidinethiolate IUPAC Name: potassium 5-amino-1-benzyl-4-oxopyrazolo[3,4-d]pyrimidine-6-thiolate Traditional Name: potassium 5-amino-1-benzyl-4-keto-pyrazolo[3,4-d]pyrimidine-6-thiolate Formula: C12H10KN5OS MolecularWeight: 311.404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=O)N(C(=N3)[S-])N.[K+]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=O)N(C(=N3)[S-])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;/h1-6H,7,13H2,(H,15,19);/q;+1/p-1