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

Systemtic Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(4-prop-2-enoxyphenyl)purine-2,6-dione Openeye Name: 8-(4-allyloxyphenyl)-3-isobutyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(4-prop-2-enoxyphenyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(4-prop-2-enoxyphenyl)purine-2,6-dione Traditional Name: 8-(4-allyloxyphenyl)-3-isobutyl-7-(2-methoxyethyl)xanthine Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)OCC=C)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)OCC=C)CCOC

InChI

InChI=1S/C21H26N4O4/c1-5-11-29-16-8-6-15(7-9-16)18-22-19-17(24(18)10-12-28-4)20(26)23-21(27)25(19)13-14(2)3/h5-9,14H,1,10-13H2,2-4H3,(H,23,26,27)