8-[(E)-2-(3,4-Dimethoxyphenyl)Ethenyl]-7-Methyl-1,3-Dipropyl-2-Sulfanylidenepurin-6-One
[CAS# 175675-60-2]

Identification

• Name: 8-[(E)-2-(3,4-Dimethoxyphenyl)Ethenyl]-7-Methyl-1,3-Dipropyl-2-Sulfanylidenepurin-6-One
• Synonyms: 8-[(E)-2-(3,4-Dimethoxyphenyl)Vinyl]-7-Methyl-1,3-Dipropyl-2-Thioxo-Purin-6-One; 8-[(E)-2-(3,4-Dimethoxyphenyl)Vinyl]-7-Methyl-1,3-Dipropyl-2-Thioxo-6-Purinone; 8-[(E)-2-(3,4-Dimethoxyphenyl)Ethenyl]-7-Methyl-1,3-Dipropyl-2-Sulfanylidene-Purin-6-One
• Molecular Formula: C₂₂H₂₈N₄O₃S
• Molecular Weight: 428.55
• CAS Registry Number: 175675-60-2
• SMILES: C1=C(OC)C(=CC=C1/C=C/C2=NC3=C([N]2C)C(=O)N(C(=S)N3CCC)CCC)OC
• InChI: 1S/C22H28N4O3S/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)30)24(3)18(23-20)11-9-15-8-10-16(28-4)17(14-15)29-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+
• InChIKey: OQTKQUDGGXERQW-PKNBQFBNSA-N

Properties

• Density: 1.215g/cm³ (Cal.)
• Boiling point: 620.326°C at 760 mmHg (Cal.)
• Flash point: 328.961°C (Cal.)