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

Systemtic Name: 7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Openeye Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-isobutylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(2-methylpropylthio)purine-2,6-dione IUPAC Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Traditional Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-(isobutylthio)-3-methyl-xanthine Formula: C19H23ClN4O4S MolecularWeight: 438.92832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H23ClN4O4S/c1-11(2)10-29-19-21-16-15(17(26)22-18(27)23(16)3)24(19)8-13(25)9-28-14-6-4-12(20)5-7-14/h4-7,11,13,25H,8-10H2,1-3H3,(H,22,26,27)