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

Systemtic Name: 8-[(E)-2-(3,4-dimethylphenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(3,4-dimethylphenyl)vinyl]-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3,4-dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(3,4-dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-[(E)-2-(3,4-dimethylphenyl)vinyl]-7-methyl-1,3-dipropyl-xanthine Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(5)18(23-20)11-10-17-9-8-15(3)16(4)14-17/h8-11,14H,6-7,12-13H2,1-5H3/b11-10+