7-methoxy-4-(7H-purin-6-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 7-methoxy-4-(7H-purin-6-ylsulfanylmethyl)chromen-2-one Openeye Name: 7-methoxy-4-(7H-purin-6-ylsulfanylmethyl)chromen-2-one CAS Name: 7-methoxy-4-[(7H-purin-6-ylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-(7H-purin-6-ylsulfanylmethyl)chromen-2-one Traditional Name: 7-methoxy-4-[(7H-purin-6-ylthio)methyl]coumarin Formula: C16H12N4O3S MolecularWeight: 340.35648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NC4=C3NC=N4

InChI

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