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

Systemtic Name: 1,3-dimethyl-6-[2-[3-(4-nitrophenyl)propyl-(3-oxidanylpropyl)amino]ethylamino]pyrimidine-2,4-dione; ethanedioic acid Openeye Name: 6-[2-[3-hydroxypropyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-dione; oxalic acid CAS Name: 6-[2-[3-hydroxypropyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione; oxalic acid IUPAC Name: 6-[2-[3-hydroxypropyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione; oxalic acid Traditional Name: 6-[2-[3-hydroxypropyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-quinone; oxalic acid Formula: C22H31N5O9 MolecularWeight: 509.50964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCCO.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCCO.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H29N5O5.C2H2O4/c1-22-18(15-19(27)23(2)20(22)28)21-10-13-24(12-4-14-26)11-3-5-16-6-8-17(9-7-16)25(29)30;3-1(4)2(5)6/h6-9,15,21,26H,3-5,10-14H2,1-2H3;(H,3,4)(H,5,6)