7-(2-methoxyethyl)-8-(4-prop-2-enoxyphenyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-8-(4-prop-2-enoxyphenyl)-3-propyl-purine-2,6-dione Openeye Name: 8-(4-allyloxyphenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-8-(4-prop-2-enoxyphenyl)-3-propylpurine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-8-(4-prop-2-enoxyphenyl)-3-propylpurine-2,6-dione Traditional Name: 8-(4-allyloxyphenyl)-7-(2-methoxyethyl)-3-propyl-xanthine Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)OCC=C)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)OCC=C)CCOC

InChI

InChI=1S/C20H24N4O4/c1-4-10-24-18-16(19(25)22-20(24)26)23(11-13-27-3)17(21-18)14-6-8-15(9-7-14)28-12-5-2/h5-9H,2,4,10-13H2,1,3H3,(H,22,25,26)