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

Systemtic Name: N-(6-chloranyl-7H-purin-2-yl)-4-oxidanyl-2-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide Openeye Name: N-(6-chloro-7H-purin-2-yl)-4-hydroxy-2-oxo-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide CAS Name: N-(6-chloro-7H-purin-2-yl)-4-hydroxy-2-oxo-3-pyrimido[2,1-b][1,3]benzothiazolecarboxamide IUPAC Name: N-(6-chloro-7H-purin-2-yl)-4-hydroxy-2-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide Traditional Name: N-(6-chloro-7H-purin-2-yl)-4-hydroxy-2-keto-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide Formula: C16H8ClN7O3S MolecularWeight: 413.79782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N3C(=C(C(=O)N=C3S2)C(=O)NC4=NC5=C(C(=N4)Cl)NC=N5)O

Isomeric SMILES

C1=CC=C2C(=C1)N3C(=C(C(=O)N=C3S2)C(=O)NC4=NC5=C(C(=N4)Cl)NC=N5)O

InChI

InChI=1S/C16H8ClN7O3S/c17-10-9-11(19-5-18-9)21-15(20-10)22-12(25)8-13(26)23-16-24(14(8)27)6-3-1-2-4-7(6)28-16/h1-5,27H,(H2,18,19,20,21,22,25)