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

Systemtic Name: 3-azanyl-1-(2,4-dimethylpyrimidin-5-yl)-4-(2-ethoxyphenoxy)-3-methyl-hexane-1,5-diol Openeye Name: 3-amino-1-(2,4-dimethylpyrimidin-5-yl)-4-(2-ethoxyphenoxy)-3-methyl-hexane-1,5-diol CAS Name: 3-amino-1-(2,4-dimethyl-5-pyrimidinyl)-4-(2-ethoxyphenoxy)-3-methylhexane-1,5-diol IUPAC Name: 3-amino-1-(2,4-dimethylpyrimidin-5-yl)-4-(2-ethoxyphenoxy)-3-methylhexane-1,5-diol Traditional Name: 3-amino-1-(2,4-dimethylpyrimidin-5-yl)-4-(2-ethoxyphenoxy)-3-methyl-hexane-1,5-diol Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC(C(C)O)C(C)(CC(C2=CN=C(N=C2C)C)O)N

Isomeric SMILES

CCOC1=CC=CC=C1OC(C(C)O)C(C)(CC(C2=CN=C(N=C2C)C)O)N

InChI

InChI=1S/C21H31N3O4/c1-6-27-18-9-7-8-10-19(18)28-20(14(3)25)21(5,22)11-17(26)16-12-23-15(4)24-13(16)2/h7-10,12,14,17,20,25-26H,6,11,22H2,1-5H3