5-azanyl-6-(2-azanylethyl)-1-[3-(4-butoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-pyrimidin-1-ium-2,4-dione

Systemtic Name: 5-azanyl-6-(2-azanylethyl)-1-[3-(4-butoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-pyrimidin-1-ium-2,4-dione Openeye Name: 5-amino-6-(2-aminoethyl)-1-[3-(4-butoxyphenoxy)-2-hydroxy-propyl]-1,3-dimethyl-pyrimidin-1-ium-2,4-dione CAS Name: 5-amino-6-(2-aminoethyl)-1-[3-(4-butoxyphenoxy)-2-hydroxypropyl]-1,3-dimethylpyrimidin-1-ium-2,4-dione IUPAC Name: 5-amino-6-(2-aminoethyl)-1-[3-(4-butoxyphenoxy)-2-hydroxypropyl]-1,3-dimethylpyrimidin-1-ium-2,4-dione Traditional Name: 5-amino-6-(2-aminoethyl)-1-[3-(4-butoxyphenoxy)-2-hydroxy-propyl]-1,3-dimethyl-pyrimidin-1-ium-2,4-quinone Formula: C21H33N4O5+ MolecularWeight: 421.51052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OCC(C[N+]2(C(=C(C(=O)N(C2=O)C)N)CCN)C)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OCC(C[N+]2(C(=C(C(=O)N(C2=O)C)N)CCN)C)O

InChI

InChI=1S/C21H33N4O5/c1-4-5-12-29-16-6-8-17(9-7-16)30-14-15(26)13-25(3)18(10-11-22)19(23)20(27)24(2)21(25)28/h6-9,15,26H,4-5,10-14,22-23H2,1-3H3/q+1