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8-methoxy-3-(7H-purin-8-ylsulfanylmethyl)chromen-2-one

8-methoxy-3-(7H-purin-8-ylsulfanylmethyl)chromen-2-one

Systemtic Name:8-methoxy-3-(7H-purin-8-ylsulfanylmethyl)chromen-2-one
Openeye Name:8-methoxy-3-(7H-purin-8-ylsulfanylmethyl)chromen-2-one
CAS Name:8-methoxy-3-[(7H-purin-8-ylthio)methyl]-1-benzopyran-2-one
IUPAC Name:8-methoxy-3-(7H-purin-8-ylsulfanylmethyl)chromen-2-one
Traditional Name:8-methoxy-3-[(7H-purin-8-ylthio)methyl]coumarin
Formula: C16H12N4O3S
MolecularWeight: 340.35648
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)CSC3=NC4=NC=NC=C4N3


Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)CSC3=NC4=NC=NC=C4N3


InChI

InChI=1S/C16H12N4O3S/c1-22-12-4-2-3-9-5-10(15(21)23-13(9)12)7-24-16-19-11-6-17-8-18-14(11)20-16/h2-6,8H,7H2,1H3,(H,17,18,19,20)


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