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3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]butan-2-one
3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]butan-2-one
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC2=C(C=C1)SCC3=CN=C(N=C32)SC(C)C(=O)C
Isomeric SMILES
CC1=CC2=C(C=C1)SCC3=CN=C(N=C32)SC(C)C(=O)C
InChI
InChI=1S/C16H16N2OS2/c1-9-4-5-14-13(6-9)15-12(8-20-14)7-17-16(18-15)21-11(3)10(2)19/h4-7,11H,8H2,1-3H3
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