7-[3-(2-chloranylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione

Systemtic Name: 7-[3-(2-chloranylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione Openeye Name: 7-[3-(2-chlorophenoxy)-2-hydroxy-propyl]-8-(isobutylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(2-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione IUPAC Name: 7-[3-(2-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione Traditional Name: 7-[3-(2-chlorophenoxy)-2-hydroxy-propyl]-8-(isobutylamino)-1,3-dimethyl-xanthine Formula: C20H26ClN5O4 MolecularWeight: 435.90454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=C(N1CC(COC3=CC=CC=C3Cl)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CNC1=NC2=C(N1CC(COC3=CC=CC=C3Cl)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H26ClN5O4/c1-12(2)9-22-19-23-17-16(18(28)25(4)20(29)24(17)3)26(19)10-13(27)11-30-15-8-6-5-7-14(15)21/h5-8,12-13,27H,9-11H2,1-4H3,(H,22,23)