2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfanyl]-7H-purine

Systemtic Name: 2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfanyl]-7H-purine Openeye Name: 2-[(4-methoxy-3-methyl-2-pyridyl)methylsulfanyl]-7H-purine CAS Name: 2-[(4-methoxy-3-methyl-2-pyridinyl)methylthio]-7H-purine IUPAC Name: 2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfanyl]-7H-purine Traditional Name: 2-[(4-methoxy-3-methyl-2-pyridyl)methylthio]-7H-purine Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC=C3C(=N2)N=CN3)OC

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC=C3C(=N2)N=CN3)OC

InChI

InChI=1S/C13H13N5OS/c1-8-10(14-4-3-11(8)19-2)6-20-13-15-5-9-12(18-13)17-7-16-9/h3-5,7H,6H2,1-2H3,(H,15,16,17,18)