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1,3-dimethyl-8-propan-2-ylsulfanyl-7-prop-2-enyl-purine-2,6-dione

1,3-dimethyl-8-propan-2-ylsulfanyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name:1,3-dimethyl-8-propan-2-ylsulfanyl-7-prop-2-enyl-purine-2,6-dione
Openeye Name:7-allyl-8-isopropylsulfanyl-1,3-dimethyl-purine-2,6-dione
CAS Name:1,3-dimethyl-8-(propan-2-ylthio)-7-prop-2-enylpurine-2,6-dione
IUPAC Name:1,3-dimethyl-8-propan-2-ylsulfanyl-7-prop-2-enylpurine-2,6-dione
Traditional Name:7-allyl-8-(isopropylthio)-1,3-dimethyl-xanthine
Formula: C13H18N4O2S
MolecularWeight: 294.37262
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C


Isomeric SMILES

CC(C)SC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C


InChI

InChI=1S/C13H18N4O2S/c1-6-7-17-9-10(14-12(17)20-8(2)3)15(4)13(19)16(5)11(9)18/h6,8H,1,7H2,2-5H3


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