160352 -OEChem-04252405342D 58 60 0 1 0 0 0 0 0999 V2000 8.4265 2.2242 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8858 2.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1591 1.2651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7355 3.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8089 4.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0768 7.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6076 0.5016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6586 4.7630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0768 4.5084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 1.1606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9428 6.0084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9265 4.7630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 1.2651 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.7926 6.2630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3696 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 8.9265 7.7630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5768 1.9696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2678 2.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0768 3.5084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5768 1.9696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1646 1.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2108 5.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9428 5.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2108 6.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9265 3.7630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0768 6.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1175 3.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4265 2.2242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3448 6.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0143 1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0605 5.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7926 5.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0605 6.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9265 6.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9645 2.0666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9578 3.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7014 2.6685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 3.7899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1892 2.0666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6074 0.8888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3355 0.5646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6739 4.6984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4790 4.0445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5236 0.7635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4798 6.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8075 3.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5511 2.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0389 2.3211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6548 7.0454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8078 6.8184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0348 5.9715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5283 1.0684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4450 1.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5236 4.9530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5236 6.5730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9720 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3896 8.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4635 8.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 3 44 1 0 0 0 0 4 25 1 0 0 0 0 4 28 1 0 0 0 0 5 23 2 0 0 0 0 6 26 2 0 0 0 0 7 30 1 0 0 0 0 7 56 1 0 0 0 0 8 32 2 0 0 0 0 19 9 1 6 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 13 2 0 0 0 0 17 10 1 1 0 0 0 11 23 1 0 0 0 0 11 26 1 0 0 0 0 11 45 1 0 0 0 0 25 12 1 1 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 2 0 0 0 0 14 32 1 0 0 0 0 14 34 2 0 0 0 0 16 34 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 6 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 24 2 0 0 0 0 22 42 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 30 1 1 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 33 2 0 0 0 0 31 54 1 0 0 0 0 33 34 1 0 0 0 0 33 55 1 0 0 0 0 M CHG 2 13 1 15 -1 M END > 160352 > 1 > 815 > 10 > 4 > 5 > AAADceB7+ABAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAAAHgQYCAAADDzlwAaDAAPABgiqAiN2dACAAAEAAhAIAAEYAFCDEAIAwQAPQAAOFyIjAMCwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione > 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-pyrimidinone;1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione > 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione > 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione > 4-azanyl-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione > 4-amino-1-[(2R,5S)-2-methylol-1,3-oxathiolan-5-yl]pyrimidin-2-one;1-[(2R,4S,5S)-4-azido-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone > InChI=1S/C10H13N5O4.C8H11N3O3S/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8;9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h3,6-8,16H,2,4H2,1H3,(H,12,17,18);1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+,8+;6-,7+/m00/s1 > LHCOVOKZWQYODM-CPEOKENHSA-N > 496.14886631 > C18H24N8O7S > 496.5 > CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-].C1C(OC(S1)CO)N2C=CC(=NC2=O)N > CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-].C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N > 207 > 496.14886631 > 0 > 34 > 5 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 17 10 5 11 23 8 11 26 8 25 12 5 12 31 8 12 32 8 14 32 8 14 34 8 20 21 6 22 24 8 24 26 8 28 30 5 31 33 8 33 34 8 19 9 6 9 22 8 9 23 8 $$$$