6-[4-[4-(4-chloranyl-2-ethanoyl-phenoxy)butyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[4-[4-(4-chloranyl-2-ethanoyl-phenoxy)butyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[4-[4-(2-acetyl-4-chloro-phenoxy)butyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[4-[4-(2-acetyl-4-chlorophenoxy)butyl]-1-piperazinyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[4-[4-(2-acetyl-4-chlorophenoxy)butyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[4-[4-(2-acetyl-4-chloro-phenoxy)butyl]piperazino]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C22H29ClN4O4 MolecularWeight: 448.94306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)Cl)OCCCCN2CCN(CC2)C3=CC(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)Cl)OCCCCN2CCN(CC2)C3=CC(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H29ClN4O4/c1-16(28)18-14-17(23)6-7-19(18)31-13-5-4-8-26-9-11-27(12-10-26)20-15-21(29)25(3)22(30)24(20)2/h6-7,14-15H,4-5,8-13H2,1-3H3