 | PTI | Name: | 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL | Formula: | C28 H32 N2 O2 | SMILES: | O(c1ccc(cc1)C4c2ccc(O)cc2CCN4c3ccccc3)CCN5CCCCC5 | InChi: | InChI=1S/C28H32N2O2/c31-25-11-14-27-23(21-25)15-18-30(24-7-3-1-4-8-24)28(27)22-9-12-26(13-10-22)32-20-19-29-16-5-2-6-17-29/h1,3-4,7-14,21,28,31H,2,5-6,15-20H2/t28-/m1/s1 | Definition date: | 2003-04-11 | Last modified: | 2011-06-04 | Identifier: | (1R)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol |
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 | PTO | Name: | PSEUDOTROPINE | Formula: | C8 H15 N O | SMILES: | OC2CC1N(C)C(CC1)C2 | InChi: | InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8- | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | (3-exo)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol |
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 | PTS | Name: | (4S-TRANS)-4-(AMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO (2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE | Formula: | C8 H12 N2 O4 S3 | SMILES: | O=S(=O)(c1sc2c(c1)C(N)CC(C)S2(=O)=O)N | InChi: | InChI=1S/C8H12N2O4S3/c1-4-2-6(9)5-3-7(17(10,13)14)15-8(5)16(4,11)12/h3-4,6H,2,9H2,1H3,(H2,10,13,14)/t4-,6-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | (4S,6S)-4-amino-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide |
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 | PU | Name: | PUROMYCIN-N-AMINOPHOSPHONIC ACID | Formula: | C22 H30 N7 O8 P | SMILES: | O=P(O)(O)NC(C(=O)NC3C(OC(n2cnc1c2ncnc1N(C)C)C3O)CO)Cc4ccc(OC)cc4 | InChi: | InChI=1S/C22H30N7O8P/c1-28(2)19-17-20(24-10-23-19)29(11-25-17)22-18(31)16(15(9-30)37-22)26-21(32)14(27-38(33,34)35)8-12-4-6-13(36-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9H2,1-3H3,(H,26,32)(H3,27,33,34,35)/t14-,15+,16+,18+,22+/m0/s1 | Definition date: | 2000-08-02 | Last modified: | 2011-06-04 | Identifier: | 3'-deoxy-N,N-dimethyl-3'-[(O-methyl-N-phosphono-L-tyrosyl)amino]adenosine |
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 | PU0 | Name: | 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE | Formula: | C18 H22 F N5 O2 | SMILES: | Fc1nc(c2nc(n(c2n1)CCCC)Cc3cc(OC)ccc3OC)N | InChi: | InChI=1S/C18H22FN5O2/c1-4-5-8-24-14(21-15-16(20)22-18(19)23-17(15)24)10-11-9-12(25-2)6-7-13(11)26-3/h6-7,9H,4-5,8,10H2,1-3H3,(H2,20,22,23) | Definition date: | 2004-03-02 | Last modified: | 2011-06-04 | Identifier: | 9-butyl-8-(2,5-dimethoxybenzyl)-2-fluoro-9H-purin-6-amine |
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 | PU1 | Name: | 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE | Formula: | C20 H21 Cl F N5 O3 | SMILES: | Clc1c(OC)c(OC)c(OC)cc1Cc3nc2c(nc(F)nc2n3CCCC#C)N | InChi: | InChI=1S/C20H21ClFN5O3/c1-5-6-7-8-27-13(24-15-18(23)25-20(22)26-19(15)27)10-11-9-12(28-2)16(29-3)17(30-4)14(11)21/h1,9H,6-8,10H2,2-4H3,(H2,23,25,26) | Definition date: | 2004-03-02 | Last modified: | 2011-06-04 | Identifier: | 8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine |
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 | PU2 | Name: | 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE | Formula: | C14 H14 F N5 O2 | SMILES: | Fc2nc1nc(nc1c(n2)N)Cc3cc(OC)ccc3OC | InChi: | InChI=1S/C14H14FN5O2/c1-21-8-3-4-9(22-2)7(5-8)6-10-17-11-12(16)19-14(15)20-13(11)18-10/h3-5H,6H2,1-2H3,(H3,16,17,18,19,20) | Definition date: | 2004-03-02 | Last modified: | 2011-06-04 | Identifier: | 8-(2,5-dimethoxybenzyl)-2-fluoro-7H-purin-6-amine |
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 | PU3 | Name: | 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-9H-PURIN-6-AMINE | Formula: | C19 H25 N5 O3 | SMILES: | n1c(c2nc(n(c2nc1)CCCC)Cc3cc(OC)c(OC)c(OC)c3)N | InChi: | InChI=1S/C19H25N5O3/c1-5-6-7-24-15(23-16-18(20)21-11-22-19(16)24)10-12-8-13(25-2)17(27-4)14(9-12)26-3/h8-9,11H,5-7,10H2,1-4H3,(H2,20,21,22) | Definition date: | 2004-03-02 | Last modified: | 2011-06-04 | Identifier: | 9-butyl-8-(3,4,5-trimethoxybenzyl)-9H-purin-6-amine |
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 | PU4 | Name: | 9-BUTYL-8-(4-METHOXYBENZYL)-9H-PURIN-6-AMINE | Formula: | C17 H21 N5 O | SMILES: | n1c(c2nc(n(c2nc1)CCCC)Cc3ccc(OC)cc3)N | InChi: | InChI=1S/C17H21N5O/c1-3-4-9-22-14(10-12-5-7-13(23-2)8-6-12)21-15-16(18)19-11-20-17(15)22/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,19,20) | Definition date: | 2004-03-02 | Last modified: | 2011-06-04 | Identifier: | 9-butyl-8-(4-methoxybenzyl)-9H-purin-6-amine |
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 | PU5 | Name: | 9-BUTYL-8-(3-METHOXYBENZYL)-9H-PURIN-6-AMINE | Formula: | C17 H21 N5 O | SMILES: | n1c(c2nc(n(c2nc1)CCCC)Cc3cccc(OC)c3)N | InChi: | InChI=1S/C17H21N5O/c1-3-4-8-22-14(10-12-6-5-7-13(9-12)23-2)21-15-16(18)19-11-20-17(15)22/h5-7,9,11H,3-4,8,10H2,1-2H3,(H2,18,19,20) | Definition date: | 2004-03-02 | Last modified: | 2011-06-04 | Identifier: | 9-butyl-8-(3-methoxybenzyl)-9H-purin-6-amine |
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 | PU6 | Name: | 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H- | Formula: | C17 H19 N5 O2 | SMILES: | O1c2ccc(cc2OC1)Cc3nc4c(ncnc4n3CCCC)N | InChi: | InChI=1S/C17H19N5O2/c1-2-3-6-22-14(21-15-16(18)19-9-20-17(15)22)8-11-4-5-12-13(7-11)24-10-23-12/h4-5,7,9H,2-3,6,8,10H2,1H3,(H2,18,19,20) | Definition date: | 2004-03-02 | Last modified: | 2011-06-04 | Identifier: | 8-(1,3-benzodioxol-5-ylmethyl)-9-butyl-9H-purin-6-amine |
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 | PU7 | Name: | 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE | Formula: | C18 H23 N5 O2 | SMILES: | n1c(c2nc(n(c2nc1)CCCC)Cc3cc(OC)ccc3OC)N | InChi: | InChI=1S/C18H23N5O2/c1-4-5-8-23-15(22-16-17(19)20-11-21-18(16)23)10-12-9-13(24-2)6-7-14(12)25-3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H2,19,20,21) | Definition date: | 2004-03-02 | Last modified: | 2011-06-04 | Identifier: | 9-butyl-8-(2,5-dimethoxybenzyl)-9H-purin-6-amine |
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 | PU8 | Name: | 9-BUTYL-8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE | Formula: | C19 H24 Cl N5 O3 | SMILES: | Clc1c(OC)c(OC)c(OC)cc1Cc3nc2c(ncnc2n3CCCC)N | InChi: | InChI=1S/C19H24ClN5O3/c1-5-6-7-25-13(24-15-18(21)22-10-23-19(15)25)9-11-8-12(26-2)16(27-3)17(28-4)14(11)20/h8,10H,5-7,9H2,1-4H3,(H2,21,22,23) | Definition date: | 2004-03-02 | Last modified: | 2011-06-04 | Identifier: | 9-butyl-8-(2-chloro-3,4,5-trimethoxybenzyl)-9H-purin-6-amine |
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 | PU9 | Name: | 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE | Formula: | C20 H22 Cl N5 O3 | SMILES: | Clc1c(OC)c(OC)c(OC)cc1Cc3nc2c(ncnc2n3CCCC#C)N | InChi: | InChI=1S/C20H22ClN5O3/c1-5-6-7-8-26-14(25-16-19(22)23-11-24-20(16)26)10-12-9-13(27-2)17(28-3)18(29-4)15(12)21/h1,9,11H,6-8,10H2,2-4H3,(H2,22,23,24) | Definition date: | 2004-03-02 | Last modified: | 2011-06-04 | Identifier: | 8-(2-chloro-3,4,5-trimethoxybenzyl)-9-pent-4-yn-1-yl-9H-purin-6-amine |
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 | PUG | Name: | 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) | Formula: | C10 H14 N4 O7 | SMILES: | O=C1C2=C(NC(=O)N1)N(C(=O)N2)CC(O)C(O)C(O)CO | InChi: | InChI=1S/C10H14N4O7/c15-2-4(17)6(18)3(16)1-14-7-5(11-10(14)21)8(19)13-9(20)12-7/h3-4,6,15-18H,1-2H2,(H,11,21)(H2,12,13,19,20)/t3-,4-,6+/m1/s1 | Definition date: | 2005-12-09 | Last modified: | 2011-06-04 | Identifier: | 1-deoxy-1-(2,6,8-trioxo-1,2,3,6,7,8-hexahydro-9H-purin-9-yl)-D-arabinitol |
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 | PUR | Name: | PURINE RIBOSIDE | Formula: | C10 H13 N4 O4 | SMILES: | OCC3OC(n2c[nH+]c1cncnc12)C(O)C3O | InChi: | InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/p+1/t6-,7-,8-,10-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 9-beta-D-ribofuranosyl-9H-purin-7-ium |
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 | 0PA | Name: | cyclopentylacetic acid | Formula: | C7 H12 O2 | SMILES: | O=C(O)CC1CCCC1 | InChi: | InChI=1S/C7H12O2/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2,(H,8,9) | Definition date: | 2008-07-25 | Last modified: | 2011-06-04 | Identifier: | cyclopentylacetic acid |
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 | PUX | Name: | 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-2-FLUORO-9H-PURIN-6-YLAMINE | Formula: | C17 H18 F N5 O2 | SMILES: | Fc1nc2n(c(nc2c(n1)N)Cc3ccc4OCOc4c3)CCCC | InChi: | InChI=1S/C17H18FN5O2/c1-2-3-6-23-13(20-14-15(19)21-17(18)22-16(14)23)8-10-4-5-11-12(7-10)25-9-24-11/h4-5,7H,2-3,6,8-9H2,1H3,(H2,19,21,22) | Definition date: | 2004-03-02 | Last modified: | 2011-06-04 | Identifier: | 8-(1,3-benzodioxol-5-ylmethyl)-9-butyl-2-fluoro-9H-purin-6-amine |
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 | PUY | Name: | PUROMYCIN | Formula: | C22 H29 N7 O5 | SMILES: | O=C(NC3C(OC(n2cnc1c2ncnc1N(C)C)C3O)CO)C(N)Cc4ccc(OC)cc4 | InChi: | InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1 | Definition date: | 2003-08-25 | Last modified: | 2011-06-04 | Identifier: | 3'-deoxy-N,N-dimethyl-3'-[(O-methyl-L-tyrosyl)amino]adenosine |
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 | PUZ | Name: | 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9-PENT-9H-PURIN-6-YLAMINE | Formula: | C19 H20 F N5 O2 | SMILES: | Fc1nc(c2nc(n(c2n1)CCCC#C)Cc3cc(OC)ccc3OC)N | InChi: | InChI=1S/C19H20FN5O2/c1-4-5-6-9-25-15(22-16-17(21)23-19(20)24-18(16)25)11-12-10-13(26-2)7-8-14(12)27-3/h1,7-8,10H,5-6,9,11H2,2-3H3,(H2,21,23,24) | Definition date: | 2004-03-02 | Last modified: | 2011-06-04 | Identifier: | 8-(2,5-dimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine |
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 | 0PQ | Name: | N-{(2R)-3-[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine | Formula: | C27 H31 N2 O5 P | SMILES: | O=C(O)C(NC(=O)C(Cc1ccccc1)CP(=O)(O)C(N)Cc2ccccc2)Cc3ccccc3 | InChi: | InChI=1S/C27H31N2O5P/c28-25(18-22-14-8-3-9-15-22)35(33,34)19-23(16-20-10-4-1-5-11-20)26(30)29-24(27(31)32)17-21-12-6-2-7-13-21/h1-15,23-25H,16-19,28H2,(H,29,30)(H,31,32)(H,33,34)/t23-,24+,25-/m1/s1 | Definition date: | 2008-11-12 | Last modified: | 2011-06-04 | Identifier: | N-{(2S)-3-[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine |
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 | PVC | Name: | (2E,4R,5S)-2,3,4,5-TETRAHYDROXY-6-(PALMITOYLOXY)HEX-2-ENOIC ACID | Formula: | C22 H40 O8 | SMILES: | O=C(OCC(O)C(O)C(/O)=C(/O)C(=O)O)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C22H40O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)30-16-17(23)19(25)20(26)21(27)22(28)29/h17,19,23,25-27H,2-16H2,1H3,(H,28,29)/b21-20-/t17-,19+/m0/s1 | Definition date: | 2004-07-21 | Last modified: | 2011-06-04 | Identifier: | (2Z)-6-O-hexadecanoyl-L-threo-hex-2-enonic acid |
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 | PX2 | Name: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE | Formula: | C27 H52 O8 P | SMILES: | O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC | InChi: | InChI=1S/C27H53O8P/c1-3-5-7-9-11-13-15-17-19-21-26(28)33-23-25(24-34-36(30,31)32)35-27(29)22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3,(H2,30,31,32)/p-1/t25-/m1/s1 | Definition date: | 2004-08-02 | Last modified: | 2011-06-04 | Identifier: | (2R)-2,3-bis(dodecanoyloxy)propyl hydrogen phosphate |
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 | PX4 | Name: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | Formula: | C36 H73 N O8 P | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCC | InChi: | InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/p+1/t34-/m1/s1 | Definition date: | 2004-07-27 | Last modified: | 2011-06-04 | Identifier: | (4R,7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(tetradecanoyloxy)-3,5,9-trioxa-4-phosphatricosan-1-aminium 4-oxide |
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 | PX6 | Name: | 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE | Formula: | C35 H68 O8 P | SMILES: | O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/p-1/t33-/m1/s1 | Definition date: | 2004-08-02 | Last modified: | 2011-06-04 | Identifier: | (2R)-2,3-bis(hexadecanoyloxy)propyl hydrogen phosphate |
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