8-[(E)-2-(4-methoxy-2,5-dimethyl-phenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(4-methoxy-2,5-dimethyl-phenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(4-methoxy-2,5-dimethyl-phenyl)vinyl]-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[(E)-2-(4-methoxy-2,5-dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(4-methoxy-2,5-dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-[(E)-2-(4-methoxy-2,5-dimethyl-phenyl)vinyl]-7-methyl-1,3-dipropyl-xanthine Formula: C23H30N4O3 MolecularWeight: 410.5093

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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=C3C)OC)C)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC(=C(C=C3C)OC)C)C

InChI

InChI=1S/C23H30N4O3/c1-7-11-26-21-20(22(28)27(12-8-2)23(26)29)25(5)19(24-21)10-9-17-13-16(4)18(30-6)14-15(17)3/h9-10,13-14H,7-8,11-12H2,1-6H3/b10-9+