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

Systemtic Name: 1,3-dimethyl-6-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]pyrimidine-2,4-dione; ethanedioic acid Openeye Name: 1,3-dimethyl-6-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]pyrimidine-2,4-dione; oxalic acid CAS Name: 1,3-dimethyl-6-[4-[(4-nitrophenyl)methyl]-1-piperazinyl]pyrimidine-2,4-dione; oxalic acid IUPAC Name: 1,3-dimethyl-6-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]pyrimidine-2,4-dione; oxalic acid Traditional Name: 1,3-dimethyl-6-[4-(4-nitrobenzyl)piperazino]pyrimidine-2,4-quinone; oxalic acid Formula: C19H23N5O8 MolecularWeight: 449.41462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C17H21N5O4.C2H2O4/c1-18-15(11-16(23)19(2)17(18)24)21-9-7-20(8-10-21)12-13-3-5-14(6-4-13)22(25)26;3-1(4)2(5)6/h3-6,11H,7-10,12H2,1-2H3;(H,3,4)(H,5,6)