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

Systemtic Name: 7-methyl-1,3-dipropyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione Openeye Name: 7-methyl-1,3-dipropyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]purine-2,6-dione CAS Name: 7-methyl-1,3-dipropyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione IUPAC Name: 7-methyl-1,3-dipropyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione Traditional Name: 7-methyl-1,3-dipropyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]xanthine Formula: C23H30N4O5 MolecularWeight: 442.5081

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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)OC)OC)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O5/c1-7-11-26-21-19(22(28)27(12-8-2)23(26)29)25(3)18(24-21)10-9-15-13-16(30-4)20(32-6)17(14-15)31-5/h9-10,13-14H,7-8,11-12H2,1-6H3/b10-9+