3-azanyl-4-(4-butoxyphenoxy)-1-(2,4-dimethylpyrimidin-5-yl)-3-methyl-hexane-1,5-diol

Systemtic Name: 3-azanyl-4-(4-butoxyphenoxy)-1-(2,4-dimethylpyrimidin-5-yl)-3-methyl-hexane-1,5-diol Openeye Name: 3-amino-4-(4-butoxyphenoxy)-1-(2,4-dimethylpyrimidin-5-yl)-3-methyl-hexane-1,5-diol CAS Name: 3-amino-4-(4-butoxyphenoxy)-1-(2,4-dimethyl-5-pyrimidinyl)-3-methylhexane-1,5-diol IUPAC Name: 3-amino-4-(4-butoxyphenoxy)-1-(2,4-dimethylpyrimidin-5-yl)-3-methylhexane-1,5-diol Traditional Name: 3-amino-4-(4-butoxyphenoxy)-1-(2,4-dimethylpyrimidin-5-yl)-3-methyl-hexane-1,5-diol Formula: C23H35N3O4 MolecularWeight: 417.5417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OC(C(C)O)C(C)(CC(C2=CN=C(N=C2C)C)O)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OC(C(C)O)C(C)(CC(C2=CN=C(N=C2C)C)O)N

InChI

InChI=1S/C23H35N3O4/c1-6-7-12-29-18-8-10-19(11-9-18)30-22(16(3)27)23(5,24)13-21(28)20-14-25-17(4)26-15(20)2/h8-11,14,16,21-22,27-28H,6-7,12-13,24H2,1-5H3