N-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-1,3-benzothiazole-6-carboxamide CAS Name: N-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-1,3-benzothiazole-6-carboxamide Formula: C19H12N6O2S MolecularWeight: 388.40258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)NC(=O)C4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)NC(=O)C4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C19H12N6O2S/c26-18(12-6-7-15-16(8-12)28-11-21-15)23-24-10-20-17-14(19(24)27)9-22-25(17)13-4-2-1-3-5-13/h1-11H,(H,23,26)