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7-but-2-ynyl-8-chloranyl-3-methyl-purine-2,6-dione

7-but-2-ynyl-8-chloranyl-3-methyl-purine-2,6-dione

Systemtic Name:7-but-2-ynyl-8-chloranyl-3-methyl-purine-2,6-dione
Openeye Name:7-but-2-ynyl-8-chloro-3-methyl-purine-2,6-dione
CAS Name:7-but-2-ynyl-8-chloro-3-methylpurine-2,6-dione
IUPAC Name:7-but-2-ynyl-8-chloro-3-methylpurine-2,6-dione
Traditional Name:7-but-2-ynyl-8-chloro-3-methyl-xanthine
Formula: C10H9ClN4O2
MolecularWeight: 252.65706
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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1Cl)N(C(=O)NC2=O)C


Isomeric SMILES

CC#CCN1C2=C(N=C1Cl)N(C(=O)NC2=O)C


InChI

InChI=1S/C10H9ClN4O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h5H2,1-2H3,(H,13,16,17)


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