4-(4-Amino-6,7-Dimethoxyquinazolin-2-Yl)-N-Phenylpiperazine-1-Carbothioamide
[CAS# 79221-43-5]

Identification

• Name: 4-(4-Amino-6,7-Dimethoxyquinazolin-2-Yl)-N-Phenylpiperazine-1-Carbothioamide
• Synonyms: 4-(4-Amino-6,7-Dimethoxy-Quinazolin-2-Yl)-N-Phenyl-Piperazine-1-Carbothioamide; 4-(4-Amino-6,7-Dimethoxy-2-Quinazolinyl)-N-Phenyl-1-Piperazinecarbothioamide; 1-Piperazinecarbothioamide, 4-(4-Amino-6,7-Dimethoxy-2-Quinazolinyl)-N-Phenyl-
• Molecular Formula: C₂₁H₂₄N₆O₂S
• Molecular Weight: 424.52
• CAS Registry Number: 79221-43-5
• SMILES: C1=C(OC)C(=CC2=NC(=NC(=C12)N)N3CCN(CC3)C(=S)NC4=CC=CC=C4)OC
• InChI: 1S/C21H24N6O2S/c1-28-17-12-15-16(13-18(17)29-2)24-20(25-19(15)22)26-8-10-27(11-9-26)21(30)23-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,23,30)(H2,22,24,25)
• InChIKey: GMHALCSWFDUNRX-UHFFFAOYSA-N

Properties

• Density: 1.369g/cm³ (Cal.)
• Boiling point: 644.009°C at 760 mmHg (Cal.)
• Flash point: 343.284°C (Cal.)