8-(3-chloranyl-2-oxidanyl-propyl)sulfanyl-7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(3-chloranyl-2-oxidanyl-propyl)sulfanyl-7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(3-chloro-2-hydroxy-propyl)sulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-[(3-chloro-2-hydroxypropyl)thio]-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(3-chloro-2-hydroxypropyl)sulfanyl-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-[(3-chloro-2-hydroxy-propyl)thio]-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-xanthine Formula: C18H20Cl2N4O5S MolecularWeight: 475.3462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(CCl)O)CC(COC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(CCl)O)CC(COC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C18H20Cl2N4O5S/c1-23-15-14(16(27)22-17(23)28)24(18(21-15)30-9-11(25)6-19)7-12(26)8-29-13-4-2-10(20)3-5-13/h2-5,11-12,25-26H,6-9H2,1H3,(H,22,27,28)