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

Systemtic Name: 1,3-dimethyl-6-[2-[3-(4-nitrophenyl)propyl-prop-2-enyl-amino]ethylamino]pyrimidine-2,4-dione; ethanedioic acid Openeye Name: 6-[2-[allyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-dione; oxalic acid CAS Name: 1,3-dimethyl-6-[2-[3-(4-nitrophenyl)propyl-prop-2-enylamino]ethylamino]pyrimidine-2,4-dione; oxalic acid IUPAC Name: 1,3-dimethyl-6-[2-[3-(4-nitrophenyl)propyl-prop-2-enylamino]ethylamino]pyrimidine-2,4-dione; oxalic acid Traditional Name: 6-[2-[allyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-quinone; oxalic acid Formula: C22H29N5O8 MolecularWeight: 491.49436

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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-])CC=C.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O4.C2H2O4/c1-4-12-24(13-5-6-16-7-9-17(10-8-16)25(28)29)14-11-21-18-15-19(26)23(3)20(27)22(18)2;3-1(4)2(5)6/h4,7-10,15,21H,1,5-6,11-14H2,2-3H3;(H,3,4)(H,5,6)