1,3-dimethyl-6-[2-[(4-nitrophenyl)methylamino]ethylamino]pyrimidine-2,4-dione; ethanedioic acid

Systemtic Name: 1,3-dimethyl-6-[2-[(4-nitrophenyl)methylamino]ethylamino]pyrimidine-2,4-dione; ethanedioic acid Openeye Name: 1,3-dimethyl-6-[2-[(4-nitrophenyl)methylamino]ethylamino]pyrimidine-2,4-dione; oxalic acid CAS Name: 1,3-dimethyl-6-[2-[(4-nitrophenyl)methylamino]ethylamino]pyrimidine-2,4-dione; oxalic acid IUPAC Name: 1,3-dimethyl-6-[2-[(4-nitrophenyl)methylamino]ethylamino]pyrimidine-2,4-dione; oxalic acid Traditional Name: 1,3-dimethyl-6-[2-[(4-nitrobenzyl)amino]ethylamino]pyrimidine-2,4-quinone; oxalic acid Formula: C17H21N5O8 MolecularWeight: 423.37734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)NCCNCC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)NCCNCC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C15H19N5O4.C2H2O4/c1-18-13(9-14(21)19(2)15(18)22)17-8-7-16-10-11-3-5-12(6-4-11)20(23)24;3-1(4)2(5)6/h3-6,9,16-17H,7-8,10H2,1-2H3;(H,3,4)(H,5,6)