[2-[2-azanyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-pyrimidin-4-yl]-5-methoxy-4-propyl-phenyl] ethanoate

Systemtic Name: [2-[2-azanyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-pyrimidin-4-yl]-5-methoxy-4-propyl-phenyl] ethanoate Openeye Name: [2-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-pyrimidin-4-yl]-5-methoxy-4-propyl-phenyl] acetate CAS Name: acetic acid [2-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-pyrimidinyl]-5-methoxy-4-propylphenyl] ester IUPAC Name: [2-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-yl]-5-methoxy-4-propylphenyl] acetate Traditional Name: acetic acid [2-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-pyrimidin-4-yl]-5-methoxy-4-propyl-phenyl] ester Formula: C25H27N3O5 MolecularWeight: 449.49898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1)C2=C(C(=NC(=N2)N)C)C3=CC4=C(C=C3)OCCO4)OC(=O)C)OC

Isomeric SMILES

CCCC1=C(C=C(C(=C1)C2=C(C(=NC(=N2)N)C)C3=CC4=C(C=C3)OCCO4)OC(=O)C)OC

InChI

InChI=1S/C25H27N3O5/c1-5-6-16-11-18(21(33-15(3)29)13-20(16)30-4)24-23(14(2)27-25(26)28-24)17-7-8-19-22(12-17)32-10-9-31-19/h7-8,11-13H,5-6,9-10H2,1-4H3,(H2,26,27,28)