8-[2-(2-chloroethyloxy)ethylsulfanyl]-3-methyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-[2-(2-chloroethyloxy)ethylsulfanyl]-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[2-(2-chloroethoxy)ethylsulfanyl]-3-methyl-purine-2,6-dione CAS Name: 8-[2-(2-chloroethoxy)ethylthio]-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[2-(2-chloroethoxy)ethylsulfanyl]-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[2-(2-chloroethoxy)ethylthio]-3-methyl-xanthine Formula: C13H17ClN4O3S MolecularWeight: 344.81708

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCOCCCl)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCOCCCl)CC=C

InChI

InChI=1S/C13H17ClN4O3S/c1-3-5-18-9-10(17(2)12(20)16-11(9)19)15-13(18)22-8-7-21-6-4-14/h3H,1,4-8H2,2H3,(H,16,19,20)