(2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-[(3-Isothiocyanatophenyl)Methylamino]Purin-9-Yl]-N-Methyloxolane-2-Carboxamide
[CAS# 157848-36-7]

Identification

• Name: (2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-[(3-Isothiocyanatophenyl)Methylamino]Purin-9-Yl]-N-Methyloxolane-2-Carboxamide
• Synonyms: (2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-[(3-Isothiocyanatophenyl)Methylamino]Purin-9-Yl]-N-Methyl-Tetrahydrofuran-2-Carboxamide; (2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-[(3-Isothiocyanatophenyl)Methylamino]-9-Purinyl]-N-Methyl-2-Tetrahydrofurancarboxamide; (2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-[(3-Isothiocyanatobenzyl)Amino]Purin-9-Yl]-N-Methyl-Tetrahydrofuran-2-Carboxamide
• Molecular Formula: C₁₉H₁₉N₇O₄S
• Molecular Weight: 441.46
• CAS Registry Number: 157848-36-7
• SMILES: S=C=NC1=CC(=CC=C1)CNC2=NC=NC3=C2N=C[N]3[C@@H]4O[C@@H]([C@@H](O)[C@H]4O)C(=O)NC
• InChI: 1S/C19H19N7O4S/c1-20-18(29)15-13(27)14(28)19(30-15)26-8-24-12-16(22-7-23-17(12)26)21-6-10-3-2-4-11(5-10)25-9-31/h2-5,7-8,13-15,19,27-28H,6H2,1H3,(H,20,29)(H,21,22,23)/t13-,14+,15-,19+/m0/s1
• InChIKey: LYCXMJPBDIEOMO-QCUYGVNKSA-N

Properties

• Density: 1.639g/cm³ (Cal.)