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

Systemtic Name: 8-[(E)-2-(4-propoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(4-propoxyphenyl)vinyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(4-propoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(4-propoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(4-propoxyphenyl)vinyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-4-13-25-20-19(21(27)26(14-5-2)22(25)28)23-18(24-20)12-9-16-7-10-17(11-8-16)29-15-6-3/h7-12H,4-6,13-15H2,1-3H3,(H,23,24)/b12-9+