1,3-dimethyl-6-[4-(1-oxidanyl-4-phenyl-butan-2-yl)piperazin-1-yl]pyrimidine-2,4-dione; ethanedioic acid

Systemtic Name: 1,3-dimethyl-6-[4-(1-oxidanyl-4-phenyl-butan-2-yl)piperazin-1-yl]pyrimidine-2,4-dione; ethanedioic acid Openeye Name: 6-[4-[1-(hydroxymethyl)-3-phenyl-propyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione; oxalic acid CAS Name: 6-[4-(1-hydroxy-4-phenylbutan-2-yl)-1-piperazinyl]-1,3-dimethylpyrimidine-2,4-dione; oxalic acid IUPAC Name: 6-[4-(1-hydroxy-4-phenylbutan-2-yl)piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione; oxalic acid Traditional Name: 1,3-dimethyl-6-[4-(1-methylol-3-phenyl-propyl)piperazino]pyrimidine-2,4-quinone; oxalic acid Formula: C22H30N4O7 MolecularWeight: 462.4962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)C(CCC3=CC=CC=C3)CO.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)C(CCC3=CC=CC=C3)CO.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H28N4O3.C2H2O4/c1-21-18(14-19(26)22(2)20(21)27)24-12-10-23(11-13-24)17(15-25)9-8-16-6-4-3-5-7-16;3-1(4)2(5)6/h3-7,14,17,25H,8-13,15H2,1-2H3;(H,3,4)(H,5,6)