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

Systemtic Name: 8-[(E)-2-(3,4-dimethylphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(3,4-dimethylphenyl)vinyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(3,4-dimethylphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(3,4-dimethylphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(3,4-dimethylphenyl)vinyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C21H26N4O2 MolecularWeight: 366.45674

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2/c1-5-11-24-19-18(20(26)25(12-6-2)21(24)27)22-17(23-19)10-9-16-8-7-14(3)15(4)13-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,22,23)/b10-9+