1-ethyl-1,3-dimethyl-5-[2-[(2-oxidanyl-4-phenyl-butyl)amino]ethylamino]pyrimidin-1-ium-2,4-dione

Systemtic Name: 1-ethyl-1,3-dimethyl-5-[2-[(2-oxidanyl-4-phenyl-butyl)amino]ethylamino]pyrimidin-1-ium-2,4-dione Openeye Name: 1-ethyl-5-[2-[(2-hydroxy-4-phenyl-butyl)amino]ethylamino]-1,3-dimethyl-pyrimidin-1-ium-2,4-dione CAS Name: 1-ethyl-5-[2-[(2-hydroxy-4-phenylbutyl)amino]ethylamino]-1,3-dimethylpyrimidin-1-ium-2,4-dione IUPAC Name: 1-ethyl-5-[2-[(2-hydroxy-4-phenylbutyl)amino]ethylamino]-1,3-dimethylpyrimidin-1-ium-2,4-dione Traditional Name: 1-ethyl-5-[2-[(2-hydroxy-4-phenyl-butyl)amino]ethylamino]-1,3-dimethyl-pyrimidin-1-ium-2,4-quinone Formula: C20H31N4O3+ MolecularWeight: 375.48514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=C(C(=O)N(C1=O)C)NCCNCC(CCC2=CC=CC=C2)O)C

Isomeric SMILES

CC[N+]1(C=C(C(=O)N(C1=O)C)NCCNCC(CCC2=CC=CC=C2)O)C

InChI

InChI=1S/C20H31N4O3/c1-4-24(3)15-18(19(26)23(2)20(24)27)22-13-12-21-14-17(25)11-10-16-8-6-5-7-9-16/h5-9,15,17,21-22,25H,4,10-14H2,1-3H3/q+1