6-Thio-3-Deazaguanine
[CAS# 52605-85-3]

Identification

• Name: 6-Thio-3-Deazaguanine
• Synonyms: 6-Amino-1,5-Dihydroimidazo[4,5-C]Pyridine-4-Thione; 1-[(2R,4S,5S)-4-Azido-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-5-Methyl-Pyrimidine-2,4-Dione; 6-Amino-1,5-Dihydroimidazo[4,5-C]Pyridine-4-Thione; 1-[(2R,4S,5S)-4-Azido-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-5-Methylpyrimidine-2,4-Dione; 6-Amino-1,5-Dihydroimidazo[4,5-C]Pyridine-4-Thione; 1-[(2R,4S,5S)-4-Azido-5-Methylol-Tetrahydrofuran-2-Yl]-5-Methyl-Pyrimidine-2,4-Quinone
• Molecular Formula: C₁₆H₁₉N₉O₄S
• Molecular Weight: 433.44
• CAS Registry Number: 52605-85-3
• SMILES: [C@H]1(O[C@H](CO)[C@H](C1)N=[N+]=[N-])N2C(=O)NC(C(=C2)C)=O.C4=NC3=C(C=C(NC3=S)N)[NH]4
• InChI: 1S/C10H13N5O4.C6H6N4S/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8;7-4-1-3-5(6(11)10-4)9-2-8-3/h3,6-8,16H,2,4H2,1H3,(H,12,17,18);1-2H,(H,8,9)(H3,7,10,11)/t6-,7+,8+;/m0./s1
• InChIKey: NGBBKMXWGNSDLQ-HNPMAXIBSA-N