N-[2-(1,3-Dimethyl-2,6-Dioxo-7H-Purin-8-Yl)Ethyl]Benzamide
[CAS# 5429-46-9]

Identification

• Name: N-[2-(1,3-Dimethyl-2,6-Dioxo-7H-Purin-8-Yl)Ethyl]Benzamide
• Synonyms: N-[2-(2,6-Diketo-1,3-Dimethyl-7H-Purin-8-Yl)Ethyl]Benzamide; Nsc14143; Nci14143
• Molecular Formula: C₁₆H₁₇N₅O₃
• Molecular Weight: 327.34
• CAS Registry Number: 5429-46-9
• SMILES: C3=C(C(NCCC1=NC2=C([NH]1)C(N(C)C(=O)N2C)=O)=O)C=CC=C3
• InChI: 1S/C16H17N5O3/c1-20-13-12(15(23)21(2)16(20)24)18-11(19-13)8-9-17-14(22)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,17,22)(H,18,19)
• InChIKey: QONYYTKNTAWWBC-UHFFFAOYSA-N

Properties

• Density: 1.361g/cm³ (Cal.)