methyl 3-[6-azanyl-9-[[3-(2-methoxy-2-oxidanylidene-ethyl)phenyl]methyl]purin-2-yl]propanoate

Systemtic Name: methyl 3-[6-azanyl-9-[[3-(2-methoxy-2-oxidanylidene-ethyl)phenyl]methyl]purin-2-yl]propanoate Openeye Name: methyl 3-[6-amino-9-[[3-(2-methoxy-2-oxo-ethyl)phenyl]methyl]purin-2-yl]propanoate CAS Name: 3-[6-amino-9-[[3-(2-methoxy-2-oxoethyl)phenyl]methyl]-2-purinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-amino-9-[[3-(2-methoxy-2-oxoethyl)phenyl]methyl]purin-2-yl]propanoate Traditional Name: 3-[6-amino-9-[3-(2-keto-2-methoxy-ethyl)benzyl]purin-2-yl]propionic acid methyl ester Formula: C19H21N5O4 MolecularWeight: 383.40114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

COC(=O)CCC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C19H21N5O4/c1-27-15(25)7-6-14-22-18(20)17-19(23-14)24(11-21-17)10-13-5-3-4-12(8-13)9-16(26)28-2/h3-5,8,11H,6-7,9-10H2,1-2H3,(H2,20,22,23)