1,3-dipropyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dipropyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione Openeye Name: 1,3-dipropyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-7H-purine-2,6-dione CAS Name: 1,3-dipropyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dipropyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione Traditional Name: 1,3-dipropyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-7H-purine-2,6-quinone Formula: C22H28N4O5 MolecularWeight: 428.48152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5/c1-6-10-25-20-18(21(27)26(11-7-2)22(25)28)23-17(24-20)9-8-14-12-15(29-3)19(31-5)16(13-14)30-4/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,23,24)/b9-8+