4-oxidanylidene-N-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1H-quinazoline-2-carbothioamide

Systemtic Name: 4-oxidanylidene-N-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1H-quinazoline-2-carbothioamide Openeye Name: 4-oxo-N-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1H-quinazoline-2-carbothioamide CAS Name: 4-oxo-N-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1H-quinazoline-2-carbothioamide IUPAC Name: 4-oxo-N-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1H-quinazoline-2-carbothioamide Formula: C14H9N7OS MolecularWeight: 323.33256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C14H9N7OS/c22-13-7-3-1-2-4-9(7)18-12(19-13)14(23)20-10-8-5-17-21-11(8)16-6-15-10/h1-6H,(H,18,19,22)(H2,15,16,17,20,21,23)