8-[(E)-2-(3,4-Dimethoxyphenyl)Ethenyl]-1,3-Dipropyl-2-Sulfanylidene-7H-Purin-6-One
[CAS# 155814-29-2]

Identification

• Name: 8-[(E)-2-(3,4-Dimethoxyphenyl)Ethenyl]-1,3-Dipropyl-2-Sulfanylidene-7H-Purin-6-One
• Synonyms: 8-[(E)-2-(3,4-Dimethoxyphenyl)Vinyl]-1,3-Dipropyl-2-Thioxo-7H-Purin-6-One; (E)-8-(3,4-Dimethoxystyryl)-1,3-Dipropyl-2-Thioxanthine; 1H-Purin-6-One, 1,2,3,7-Tetrahydro-8-(2-(3,4-Dimethoxyphenyl)Ethenyl)-1,3-Dipropyl-2-Thioxo-,(E)-
• Molecular Formula: C₂₁H₂₆N₄O₃S
• Molecular Weight: 414.52
• CAS Registry Number: 155814-29-2
• SMILES: C1=C(C(=CC=C1/C=C/C2=NC3=C([NH]2)C(N(C(N3CCC)=S)CCC)=O)OC)OC
• InChI: 1S/C21H26N4O3S/c1-5-11-24-19-18(20(26)25(12-6-2)21(24)29)22-17(23-19)10-8-14-7-9-15(27-3)16(13-14)28-4/h7-10,13H,5-6,11-12H2,1-4H3,(H,22,23)/b10-8+
• InChIKey: UBTCNLGIOUVSQV-CSKARUKUSA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 629.069°C at 760 mmHg (Cal.)
• Flash point: 334.249°C (Cal.)