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阿巴卡韦CAS号: 136470-78-5分子式: C14H18N6O 分子量: 286.33IUPAC Name: [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanolSMILES: C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)COInChIKey: MCGSCOLBFJQGHM-SCZZXKLOSA-NInChI: 1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1
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磷酸吡哆醛(PLP)CAS号: 54-47-7分子式: C8H10NO6P 分子量: 247.14IUPAC Name: (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphateSMILES: CC1=NC=C(C(=C1O)C=O)COP(=O)(O)OInChIKey: NGVDGCNFYWLIFO-UHFFFAOYSA-NInChI: 1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
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磷酸吡哆醛(PLP)CAS号: 54-47-7分子式: C8H10NO6P 分子量: 247.14IUPAC Name: (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphateSMILES: CC1=NC=C(C(=C1O)C=O)COP(=O)(O)OInChIKey: NGVDGCNFYWLIFO-UHFFFAOYSA-NInChI: 1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
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利匹韦林CAS号: 500287-72-9 Compound CID : 6451164分子式: C22H18N6 分子量: 366.42IUPAC Name: 4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzonitrileSMILES: CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)C=CC#NInChIKey: YIBOMRUWOWDFLG-ONEGZZNKSA-NInChI: 1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+
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2',3'-二脱氢-3'-脱氧胸苷(d4T)CAS号: 3056-17-5分子式: C10H12N2O4 分子量: 224.21IUPAC Name: 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dioneSMILES: CC1=CN(C(=O)NC1=O)C2C=CC(O2)COInChIKey: XNKLLVCARDGLGL-JGVFFNPUSA-NInChI: 1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
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替诺福韦CAS号: 147127-20-6 Compound CID : 464205分子式: C9H14N5O4P 分子量: 287.22IUPAC Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acidSMILES: CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OInChIKey: SGOIRFVFHAKUTI-ZCFIWIBFSA-NInChI: 1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1
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2',3'-二脱氧胞苷CAS号: 7481-89-2分子式: C9H13N3O3 分子量: 211.22IUPAC Name: 4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-oneSMILES: C1CC(OC1CO)N2C=CC(=NC2=O)NInChIKey: WREGKURFCTUGRC-POYBYMJQSA-NInChI: 1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1
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地丹诺辛CAS号: 69655-05-6分子式: C10H12N4O3 分子量: 236.23IUPAC Name: 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-oneSMILES: C1CC(OC1CO)N2C=NC3=C2N=CNC3=OInChIKey: BXZVVICBKDXVGW-NKWVEPMBSA-NInChI: 1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1
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恩曲他滨CAS号: 143491-57-0分子式: C8H10FN3O3S 分子量: 247.25IUPAC Name: 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-oneSMILES: C1C(OC(S1)CO)N2C=C(C(=NC2=O)N)FInChIKey: XQSPYNMVSIKCOC-NTSWFWBYSA-NInChI: 1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1
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依法韦仑CAS号: 154598-52-4分子式: C14H9ClF3NO2 分子量: 315.67IUPAC Name: (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-oneSMILES: C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)FInChIKey: XPOQHMRABVBWPR-ZDUSSCGKSA-NInChI: 1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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金丝桃素分子式: C30H16O8 分子量: 504.44IUPAC Name: 9,11,13,16,18,20-hexahydroxy-5,24-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,8,10,12,14(28),15(27),16,18,20,23-tridecaene-7,22-dioneSMILES: CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)OInChIKey: YDOIFHVUBCIUHF-UHFFFAOYSA-NInChI: 1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,33-38H,1-2H3
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