6-[4-[3-(4-chloranylphenoxy)propyl]piperazin-1-yl]-1-methyl-pyrimidine-2,4-dione; ethanedioic acid

Systemtic Name: 6-[4-[3-(4-chloranylphenoxy)propyl]piperazin-1-yl]-1-methyl-pyrimidine-2,4-dione; ethanedioic acid Openeye Name: 6-[4-[3-(4-chlorophenoxy)propyl]piperazin-1-yl]-1-methyl-pyrimidine-2,4-dione; oxalic acid CAS Name: 6-[4-[3-(4-chlorophenoxy)propyl]-1-piperazinyl]-1-methylpyrimidine-2,4-dione; oxalic acid IUPAC Name: 6-[4-[3-(4-chlorophenoxy)propyl]piperazin-1-yl]-1-methylpyrimidine-2,4-dione; oxalic acid Traditional Name: 6-[4-[3-(4-chlorophenoxy)propyl]piperazino]-1-methyl-pyrimidine-2,4-quinone; oxalic acid Formula: C20H25ClN4O7 MolecularWeight: 468.8881

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)NC1=O)N2CCN(CC2)CCCOC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(=CC(=O)NC1=O)N2CCN(CC2)CCCOC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23ClN4O3.C2H2O4/c1-21-17(13-16(24)20-18(21)25)23-10-8-22(9-11-23)7-2-12-26-15-5-3-14(19)4-6-15;3-1(4)2(5)6/h3-6,13H,2,7-12H2,1H3,(H,20,24,25);(H,3,4)(H,5,6)