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

Systemtic Name: ethanedioic acid; 1-methyl-6-[4-(3-phenoxypropyl)piperazin-1-yl]pyrimidine-2,4-dione Openeye Name: 1-methyl-6-[4-(3-phenoxypropyl)piperazin-1-yl]pyrimidine-2,4-dione; oxalic acid CAS Name: 1-methyl-6-[4-(3-phenoxypropyl)-1-piperazinyl]pyrimidine-2,4-dione; oxalic acid IUPAC Name: 1-methyl-6-[4-(3-phenoxypropyl)piperazin-1-yl]pyrimidine-2,4-dione; oxalic acid Traditional Name: 1-methyl-6-[4-(3-phenoxypropyl)piperazino]pyrimidine-2,4-quinone; oxalic acid Formula: C20H26N4O7 MolecularWeight: 434.44304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3.C2H2O4/c1-20-17(14-16(23)19-18(20)24)22-11-9-21(10-12-22)8-5-13-25-15-6-3-2-4-7-15;3-1(4)2(5)6/h2-4,6-7,14H,5,8-13H2,1H3,(H,19,23,24);(H,3,4)(H,5,6)