N-[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)methyl]-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)methyl]-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-[(3-keto-4H-1,4-benzoxazin-7-yl)methyl]-2-(7H-purin-6-ylthio)acetamide Formula: C16H14N6O3S MolecularWeight: 370.38576

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1C(=O)NC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C16H14N6O3S/c23-12-5-25-11-3-9(1-2-10(11)22-12)4-17-13(24)6-26-16-14-15(19-7-18-14)20-8-21-16/h1-3,7-8H,4-6H2,(H,17,24)(H,22,23)(H,18,19,20,21)