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

Systemtic Name: 7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-8-(diethylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-(diethylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(diethylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(diethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-(diethylamino)-3-methyl-xanthine Formula: C19H24ClN5O4 MolecularWeight: 421.87796

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)C1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H24ClN5O4/c1-4-24(5-2)18-21-16-15(17(27)22-19(28)23(16)3)25(18)10-13(26)11-29-14-8-6-12(20)7-9-14/h6-9,13,26H,4-5,10-11H2,1-3H3,(H,22,27,28)