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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCCOCCCl)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCCOCCCl)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H23ClN4O3S/c1-10(2)4-6-20-11-12(19(3)14(22)18-13(11)21)17-15(20)24-9-8-23-7-5-16/h10H,4-9H2,1-3H3,(H,18,21,22)