8-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(2,3-dimethoxyphenyl)vinyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(2,3-dimethoxyphenyl)vinyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C21H26N4O4 MolecularWeight: 398.45554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C=CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)/C=C/C3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C21H26N4O4/c1-5-12-24-19-17(20(26)25(13-6-2)21(24)27)22-16(23-19)11-10-14-8-7-9-15(28-3)18(14)29-4/h7-11H,5-6,12-13H2,1-4H3,(H,22,23)/b11-10+