4-oxidanyl-2-oxidanylidene-N-(7H-purin-6-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

Systemtic Name: 4-oxidanyl-2-oxidanylidene-N-(7H-purin-6-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide Openeye Name: 4-hydroxy-2-oxo-N-(7H-purin-6-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide CAS Name: 4-hydroxy-2-oxo-N-(7H-purin-6-yl)-3-pyrimido[2,1-b][1,3]benzothiazolecarboxamide IUPAC Name: 4-hydroxy-2-oxo-N-(7H-purin-6-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide Traditional Name: 4-hydroxy-2-keto-N-(7H-purin-6-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide Formula: C16H9N7O3S MolecularWeight: 379.35276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N3C(=C(C(=O)N=C3S2)C(=O)NC4=NC=NC5=C4NC=N5)O

Isomeric SMILES

C1=CC=C2C(=C1)N3C(=C(C(=O)N=C3S2)C(=O)NC4=NC=NC5=C4NC=N5)O

InChI

InChI=1S/C16H9N7O3S/c24-13(21-12-10-11(18-5-17-10)19-6-20-12)9-14(25)22-16-23(15(9)26)7-3-1-2-4-8(7)27-16/h1-6,26H,(H2,17,18,19,20,21,24)