2-[4-(8-ethyl-2,6-dimethyl-purin-9-yl)phenyl]ethyl propanoate

Systemtic Name: 2-[4-(8-ethyl-2,6-dimethyl-purin-9-yl)phenyl]ethyl propanoate Openeye Name: 2-[4-(8-ethyl-2,6-dimethyl-purin-9-yl)phenyl]ethyl propanoate CAS Name: propanoic acid 2-[4-(8-ethyl-2,6-dimethyl-9-purinyl)phenyl]ethyl ester IUPAC Name: 2-[4-(8-ethyl-2,6-dimethylpurin-9-yl)phenyl]ethyl propanoate Traditional Name: propionic acid 2-[4-(8-ethyl-2,6-dimethyl-purin-9-yl)phenyl]ethyl ester Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N=C(N=C2N1C3=CC=C(C=C3)CCOC(=O)CC)C)C

Isomeric SMILES

CCC1=NC2=C(N=C(N=C2N1C3=CC=C(C=C3)CCOC(=O)CC)C)C

InChI

InChI=1S/C20H24N4O2/c1-5-17-23-19-13(3)21-14(4)22-20(19)24(17)16-9-7-15(8-10-16)11-12-26-18(25)6-2/h7-10H,5-6,11-12H2,1-4H3