8-chloranyl-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]-1,3-dimethyl-xanthine Formula: C20H23ClN6O4 MolecularWeight: 446.88742

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C20H23ClN6O4/c1-23-17-16(18(29)24(2)20(23)30)27(19(21)22-17)12-15(28)26-10-8-25(9-11-26)13-6-4-5-7-14(13)31-3/h4-7H,8-12H2,1-3H3