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

Systemtic Name: 7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(4-methyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-1,3-dimethyl-8-(4-methylpiperazino)xanthine Formula: C21H27ClN6O4 MolecularWeight: 462.92988

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(N2CC(COC4=CC=C(C=C4)Cl)O)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(N2CC(COC4=CC=C(C=C4)Cl)O)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H27ClN6O4/c1-24-8-10-27(11-9-24)20-23-18-17(19(30)26(3)21(31)25(18)2)28(20)12-15(29)13-32-16-6-4-14(22)5-7-16/h4-7,15,29H,8-13H2,1-3H3