8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7-methyl-1-propan-2-yl-3-propyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7-methyl-1-propan-2-yl-3-propyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1-isopropyl-7-methyl-3-propyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7-methyl-1-propan-2-yl-3-propylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7-methyl-1-propan-2-yl-3-propylpurine-2,6-dione Traditional Name: 8-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1-isopropyl-7-methyl-3-propyl-xanthine Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4/c1-7-12-25-20-19(21(27)26(14(2)3)22(25)28)24(4)18(23-20)11-9-15-8-10-16(29-5)17(13-15)30-6/h8-11,13-14H,7,12H2,1-6H3/b11-9+