7-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-8-chloro-1,3-dimethyl-xanthine Formula: C21H27ClN4O4 MolecularWeight: 434.91648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C21H27ClN4O4/c1-12-9-13(21(2,3)4)7-8-15(12)30-11-14(27)10-26-16-17(23-19(26)22)24(5)20(29)25(6)18(16)28/h7-9,14,27H,10-11H2,1-6H3