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

Systemtic Name: 8-[(E)-2-(4-methoxy-2,3-dimethyl-phenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(4-methoxy-2,3-dimethyl-phenyl)vinyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(4-methoxy-2,3-dimethylphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(4-methoxy-2,3-dimethylphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(4-methoxy-2,3-dimethyl-phenyl)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=C(C(=C(C=C3)OC)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)23-18(24-20)11-9-16-8-10-17(29-5)15(4)14(16)3/h8-11H,6-7,12-13H2,1-5H3,(H,23,24)/b11-9+