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

Systemtic Name: 8-[2-(2-chloroethyloxy)ethylsulfanyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[2-(2-chloroethoxy)ethylsulfanyl]-3-methyl-purine-2,6-dione CAS Name: 8-[2-(2-chloroethoxy)ethylthio]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[2-(2-chloroethoxy)ethylsulfanyl]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-[2-(2-chloroethoxy)ethylthio]-3-methyl-xanthine Formula: C17H19ClN4O3S MolecularWeight: 394.87576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCOCCCl)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCOCCCl)CC3=CC=CC=C3

InChI

InChI=1S/C17H19ClN4O3S/c1-21-14-13(15(23)20-16(21)24)22(11-12-5-3-2-4-6-12)17(19-14)26-10-9-25-8-7-18/h2-6H,7-11H2,1H3,(H,20,23,24)