8-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-7-methyl-1,3-dipropyl-xanthine Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4/c1-6-10-25-20-19(21(27)26(11-7-2)22(25)28)24(3)18(23-20)9-8-15-12-16(29-4)14-17(13-15)30-5/h8-9,12-14H,6-7,10-11H2,1-5H3/b9-8+