3-[2-(7H-purin-6-ylsulfanyl)ethanoyl]chromen-2-one

Systemtic Name: 3-[2-(7H-purin-6-ylsulfanyl)ethanoyl]chromen-2-one Openeye Name: 3-[2-(7H-purin-6-ylsulfanyl)acetyl]chromen-2-one CAS Name: 3-[1-oxo-2-(7H-purin-6-ylthio)ethyl]-1-benzopyran-2-one IUPAC Name: 3-[2-(7H-purin-6-ylsulfanyl)acetyl]chromen-2-one Traditional Name: 3-[2-(7H-purin-6-ylthio)acetyl]coumarin Formula: C16H10N4O3S MolecularWeight: 338.3406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C16H10N4O3S/c21-11(6-24-15-13-14(18-7-17-13)19-8-20-15)10-5-9-3-1-2-4-12(9)23-16(10)22/h1-5,7-8H,6H2,(H,17,18,19,20)