3'-(3-(2-Chloroethyl)-3-Nitrosourea)-3'-Deoxythymidine
[CAS# 65174-26-7]

Identification

• Name: 3'-(3-(2-Chloroethyl)-3-Nitrosourea)-3'-Deoxythymidine
• Synonyms: 1-(2-Chloroethyl)-3-[(2S,3S,5R)-2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-3-Yl]-1-Nitroso-Urea; 1-(2-Chloroethyl)-3-[(2S,3S,5R)-2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-3-Tetrahydrofuranyl]-1-Nitrosourea; 1-(2-Chloroethyl)-3-[(2S,3S,5R)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-2-Methylol-Tetrahydrofuran-3-Yl]-1-Nitroso-Urea
• Molecular Formula: C₁₃H₁₈ClN₅O₆
• Molecular Weight: 375.77
• CAS Registry Number: 65174-26-7
• SMILES: [C@H]1(O[C@@H]([C@@H](NC(=O)N(N=O)CCCl)C1)CO)N2C(=O)NC(=O)C(=C2)C
• InChI: 1S/C13H18ClN5O6/c1-7-5-18(12(22)16-11(7)21)10-4-8(9(6-20)25-10)15-13(23)19(17-24)3-2-14/h5,8-10,20H,2-4,6H2,1H3,(H,15,23)(H,16,21,22)/t8-,9+,10+/m0/s1
• InChIKey: VFSVPIANOGHWHL-IVZWLZJFSA-N