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

Systemtic Name: 3-azanyl-1-(2,4-dimethylpyrimidin-5-yl)-3-methyl-4-(4-pentoxyphenoxy)hexane-1,5-diol Openeye Name: 3-amino-1-(2,4-dimethylpyrimidin-5-yl)-3-methyl-4-(4-pentoxyphenoxy)hexane-1,5-diol CAS Name: 3-amino-1-(2,4-dimethyl-5-pyrimidinyl)-3-methyl-4-(4-pentoxyphenoxy)hexane-1,5-diol IUPAC Name: 3-amino-1-(2,4-dimethylpyrimidin-5-yl)-3-methyl-4-(4-pentoxyphenoxy)hexane-1,5-diol Traditional Name: 3-amino-4-(4-amoxyphenoxy)-1-(2,4-dimethylpyrimidin-5-yl)-3-methyl-hexane-1,5-diol Formula: C24H37N3O4 MolecularWeight: 431.56828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)OC(C(C)O)C(C)(CC(C2=CN=C(N=C2C)C)O)N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)OC(C(C)O)C(C)(CC(C2=CN=C(N=C2C)C)O)N

InChI

InChI=1S/C24H37N3O4/c1-6-7-8-13-30-19-9-11-20(12-10-19)31-23(17(3)28)24(5,25)14-22(29)21-15-26-18(4)27-16(21)2/h9-12,15,17,22-23,28-29H,6-8,13-14,25H2,1-5H3