7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-1,3-dimethyl-8-piperazino-xanthine Formula: C20H25ClN6O4 MolecularWeight: 448.9033

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC(COC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC(COC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C20H25ClN6O4/c1-24-17-16(18(29)25(2)20(24)30)27(19(23-17)26-9-7-22-8-10-26)11-14(28)12-31-15-5-3-13(21)4-6-15/h3-6,14,22,28H,7-12H2,1-2H3