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

Systemtic Name: 7-methyl-8-[(E)-2-(4-propoxyphenyl)ethenyl]-1,3-dipropyl-purine-2,6-dione Openeye Name: 7-methyl-8-[(E)-2-(4-propoxyphenyl)vinyl]-1,3-dipropyl-purine-2,6-dione CAS Name: 7-methyl-8-[(E)-2-(4-propoxyphenyl)ethenyl]-1,3-dipropylpurine-2,6-dione IUPAC Name: 7-methyl-8-[(E)-2-(4-propoxyphenyl)ethenyl]-1,3-dipropylpurine-2,6-dione Traditional Name: 7-methyl-8-[(E)-2-(4-propoxyphenyl)vinyl]-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=C3)OCCC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3/c1-5-14-26-21-20(22(28)27(15-6-2)23(26)29)25(4)19(24-21)13-10-17-8-11-18(12-9-17)30-16-7-3/h8-13H,5-7,14-16H2,1-4H3/b13-10+