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

Systemtic Name: 7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Openeye Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-isopentylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(3-methylbutylthio)purine-2,6-dione IUPAC Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Traditional Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-(isoamylthio)-3-methyl-xanthine Formula: C20H25ClN4O4S MolecularWeight: 452.9549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H25ClN4O4S/c1-12(2)8-9-30-20-22-17-16(18(27)23-19(28)24(17)3)25(20)10-14(26)11-29-15-6-4-13(21)5-7-15/h4-7,12,14,26H,8-11H2,1-3H3,(H,23,27,28)