5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(7H-purin-8-yl)phenoxy]-N,N-dimethyl-pyrimidine-2-carboxamide

Systemtic Name: 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(7H-purin-8-yl)phenoxy]-N,N-dimethyl-pyrimidine-2-carboxamide Openeye Name: 5-[3-[(1S)-2-methoxy-1-methyl-ethoxy]-5-(7H-purin-8-yl)phenoxy]-N,N-dimethyl-pyrimidine-2-carboxamide CAS Name: 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(7H-purin-8-yl)phenoxy]-N,N-dimethyl-2-pyrimidinecarboxamide IUPAC Name: 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(7H-purin-8-yl)phenoxy]-N,N-dimethylpyrimidine-2-carboxamide Traditional Name: 5-[3-[(1S)-2-methoxy-1-methyl-ethoxy]-5-(7H-purin-8-yl)phenoxy]-N,N-dimethyl-pyrimidine-2-carboxamide Formula: C22H23N7O4 MolecularWeight: 449.46252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC)OC1=CC(=CC(=C1)OC2=CN=C(N=C2)C(=O)N(C)C)C3=NC4=NC=NC=C4N3

Isomeric SMILES

C[C@@H](COC)OC1=CC(=CC(=C1)OC2=CN=C(N=C2)C(=O)N(C)C)C3=NC4=NC=NC=C4N3

InChI

InChI=1S/C22H23N7O4/c1-13(11-31-4)32-15-5-14(19-27-18-10-23-12-26-20(18)28-19)6-16(7-15)33-17-8-24-21(25-9-17)22(30)29(2)3/h5-10,12-13H,11H2,1-4H3,(H,23,26,27,28)/t13-/m0/s1