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

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

Systemtic Name:8-chloranyl-1,7-dimethyl-3-prop-2-enyl-purine-2,6-dione
Openeye Name:3-allyl-8-chloro-1,7-dimethyl-purine-2,6-dione
CAS Name:8-chloro-1,7-dimethyl-3-prop-2-enylpurine-2,6-dione
IUPAC Name:8-chloro-1,7-dimethyl-3-prop-2-enylpurine-2,6-dione
Traditional Name:3-allyl-8-chloro-1,7-dimethyl-xanthine
Formula: C10H11ClN4O2
MolecularWeight: 254.67294
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)CC=C


Isomeric SMILES

CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)CC=C


InChI

InChI=1S/C10H11ClN4O2/c1-4-5-15-7-6(13(2)9(11)12-7)8(16)14(3)10(15)17/h4H,1,5H2,2-3H3


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