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

Systemtic Name: 8-[(E)-2-(4-butoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(4-butoxyphenyl)vinyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(4-butoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(4-butoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(4-butoxyphenyl)vinyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C23H30N4O3 MolecularWeight: 410.5093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC2=NC3=C(N2)C(=O)N(C(=O)N3CCC)CCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C2=NC3=C(N2)C(=O)N(C(=O)N3CCC)CCC

InChI

InChI=1S/C23H30N4O3/c1-4-7-16-30-18-11-8-17(9-12-18)10-13-19-24-20-21(25-19)26(14-5-2)23(29)27(15-6-3)22(20)28/h8-13H,4-7,14-16H2,1-3H3,(H,24,25)/b13-10+