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

Systemtic Name: 8-[2-(2-chloroethyloxy)ethylsulfanyl]-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-[2-(2-chloroethoxy)ethylsulfanyl]-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-[2-(2-chloroethoxy)ethylthio]-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[2-(2-chloroethoxy)ethylsulfanyl]-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[2-(2-chloroethoxy)ethylthio]-3-methyl-xanthine Formula: C15H23ClN4O3S MolecularWeight: 374.88612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCCOCCCl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCCOCCCl)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H23ClN4O3S/c1-3-4-5-7-20-11-12(19(2)14(22)18-13(11)21)17-15(20)24-10-9-23-8-6-16/h3-10H2,1-2H3,(H,18,21,22)