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GVD
GVD
Name:[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE
Formula:C22 H19 N7
SMILES:N#CCC5C=CC(=N/c2nc1c(cccc1)c(n2)Nc3nnc(c3)C4CC4)C=C5
InChi:InChI=1S/C22H19N7/c23-12-11-14-5-9-16(10-6-14)24-22-25-18-4-2-1-3-17(18)21(27-22)26-20-13-19(28-29-20)15-7-8-15/h1-6,9-10,13-15H,7-8,11H2,(H2,25,26,27,28,29)/b24-16-/t14-/m0/s1
Definition date:2007-03-08
Last modified:2011-06-04
Identifier:[(1S,4E)-4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile
GVF
GVF
Name:BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)]
Formula:C6 H10 O16 P4
SMILES:O=P(Oc1c(OP(=O)(O)O)ccc(OP(=O)(O)O)c1OP(=O)(O)O)(O)O
InChi:InChI=1S/C6H10O16P4/c7-23(8,9)19-3-1-2-4(20-24(10,11)12)6(22-26(16,17)18)5(3)21-25(13,14)15/h1-2H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)
Definition date:2007-03-12
Last modified:2011-06-04
Identifier:benzene-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)]
GVH
GVH
Name:1H-PYRROLO[2,3-B]PYRIDINE
Formula:C7 H6 N2
SMILES:n1cccc2c1ncc2
InChi:InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)
Definition date:2007-03-15
Last modified:2011-06-04
Identifier:1H-pyrrolo[2,3-b]pyridine
GVJ
GVJ
Name:(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE
Formula:C18 H15 N5
SMILES:n1c(c2ncnc2nc1)c3ccc(cc3)C(c4ccccc4)N
InChi:InChI=1S/C18H15N5/c19-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)16-17-18(22-10-20-16)23-11-21-17/h1-11,15H,19H2,(H,20,21,22,23)/t15-/m0/s1
Definition date:2007-03-15
Last modified:2011-06-04
Identifier:(S)-1-phenyl-1-[4-(9H-purin-6-yl)phenyl]methanamine
GVK
GVK
Name:6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE
Formula:C22 H20 Cl N5
SMILES:Clc1ccc(cc1)C5(c4ccc(c3ncnc2c3ncn2)cc4)CCNCC5
InChi:InChI=1S/C22H20ClN5/c23-18-7-5-17(6-8-18)22(9-11-24-12-10-22)16-3-1-15(2-4-16)19-20-21(27-13-25-19)28-14-26-20/h1-8,13-14,24H,9-12H2,(H,25,26,27,28)
Definition date:2007-03-15
Last modified:2011-06-04
Identifier:6-{4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl}-9H-purine
GVN
GVN
Name:(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE
Formula:C17 H16 Cl N3
SMILES:Clc1ccc(cc1)C(c3ccc(c2cnnc2)cc3)CN
InChi:InChI=1S/C17H16ClN3/c18-16-7-5-14(6-8-16)17(9-19)13-3-1-12(2-4-13)15-10-20-21-11-15/h1-8,10-11,17H,9,19H2,(H,20,21)/t17-/m1/s1
Definition date:2007-03-19
Last modified:2011-06-04
Identifier:(2R)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
GVO
GVO
Name:(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE
Formula:C17 H16 Cl N3
SMILES:Clc1ccc(cc1)C(c3ccc(c2cnnc2)cc3)CN
InChi:InChI=1S/C17H16ClN3/c18-16-7-5-14(6-8-16)17(9-19)13-3-1-12(2-4-13)15-10-20-21-11-15/h1-8,10-11,17H,9,19H2,(H,20,21)/t17-/m0/s1
Definition date:2007-03-19
Last modified:2011-06-04
Identifier:(2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
GVP
GVP
Name:4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE
Formula:C20 H20 Cl N3
SMILES:Clc1ccc(cc1)C4(c3ccc(c2cnnc2)cc3)CCNCC4
InChi:InChI=1S/C20H20ClN3/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16/h1-8,13-14,22H,9-12H2,(H,23,24)
Definition date:2007-03-19
Last modified:2011-06-04
Identifier:4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
GVQ
GVQ
Name:(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE
Formula:C14 H14 Cl N
SMILES:Clc1ccc(cc1)C(c2ccccc2)CN
InChi:InChI=1S/C14H14ClN/c15-13-8-6-12(7-9-13)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2/t14-/m1/s1
Definition date:2007-03-19
Last modified:2011-06-04
Identifier:(2R)-2-(4-chlorophenyl)-2-phenylethanamine
GVR
GVR
Name:(2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide
Formula:C23 H20 N2 O4 S
SMILES:O=S(=O)(c2cc1ccccc1cc2)NC(C(=O)NO)Cc4ccc3c(cccc3)c4
InChi:InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1
Definition date:2007-10-26
Last modified:2011-06-04
Identifier:(2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide (non-preferred name)
GW7
GW7
Name:N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine
Formula:C21 H17 Cl F N3 O S
SMILES:Fc1cccc(c1)COc2ccc(cc2Cl)Nc4ncnc3c4sc(c3)CC
InChi:InChI=1S/C21H17ClFN3OS/c1-2-16-10-18-20(28-16)21(25-12-24-18)26-15-6-7-19(17(22)9-15)27-11-13-4-3-5-14(23)8-13/h3-10,12H,2,11H2,1H3,(H,24,25,26)
Definition date:2007-10-01
Last modified:2011-06-04
Identifier:N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine
GWD
GWD
Name:(3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1,3-dihydro-2H-indol-2-one
Formula:C15 H8 Br2 I N O2
SMILES:Brc1cc(cc(Br)c1O)C=C3/c2cc(I)ccc2NC3=O
InChi:InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3+
Definition date:2008-11-04
Last modified:2011-06-04
Identifier:(3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1,3-dihydro-2H-indol-2-one
GX1
GX1
Name:2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}guanosine
Formula:C12 H19 N6 O6 P S
SMILES:O=P(O)(OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O)NCCS
InChi:InChI=1S/C12H19N6O6PS/c13-12-16-10-9(11(20)17-12)14-5-18(10)8-3-6(19)7(24-8)4-23-25(21,22)15-1-2-26/h5-8,19,26H,1-4H2,(H2,15,21,22)(H3,13,16,17,20)/t6-,7+,8+/m0/s1
Definition date:2009-09-09
Last modified:2011-06-04
Identifier:2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}guanosine
GYT
GYT
Name:BIS-(2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYLOXYCARBONYL)-4,7,10-TRIOXA-1,13-TRIDECANEDIAMINE
Formula:C28 H50 N4 O17
SMILES:O=C(OC1OC(C(O)C(O)C1NC(=O)C)CO)NCCCOCCOCCOCCCNC(=O)OC2OC(CO)C(O)C(O)C2NC(=O)C
InChi:InChI=1S/C28H50N4O17/c1-15(35)31-19-23(39)21(37)17(13-33)46-25(19)48-27(41)29-5-3-7-43-9-11-45-12-10-44-8-4-6-30-28(42)49-26-20(32-16(2)36)24(40)22(38)18(14-34)47-26/h17-26,33-34,37-40H,3-14H2,1-2H3,(H,29,41)(H,30,42)(H,31,35)(H,32,36)/t17-,18-,19-,20-,21-,22-,23-,24-,25-,26-/m1/s1
Definition date:2007-03-26
Last modified:2011-06-04
Identifier:(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (15-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-15-oxo-4,7,10-trioxa-14-azapentadec-1-yl)carbamate (non-preferred name)
GZC
GZC
Name:N,N'''-{ethane-1,2-diylbis[nitrilo(E)methylylidene(4-hydroxybenzene-3,1-diyl)]}diguanidine
Formula:C18 H22 N8 O2
SMILES:NC(=N)Nc1ccc(O)c(C=NCCN=Cc2cc(NC(N)=N)ccc2O)c1
InChi:InChI=1S/C18H22N8O2/c19-17(20)25-13-1-3-15(27)11(7-13)9-23-5-6-24-10-12-8-14(26-18(21)22)2-4-16(12)28/h1-4,7-10,27-28H,5-6H2,(H4,19,20,25)(H4,21,22,26)/b23-9+,24-10+
Definition date:2009-12-03
Last modified:2011-06-04
Identifier:1-[3-[(E)-2-[(E)-(5-carbamimidamido-2-hydroxy-phenyl)methylideneamino]ethyliminomethyl]-4-hydroxy-phenyl]guanidine
H06
H06
Name:(E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide
Formula:C14 H13 N5 O
SMILES:O=C(NN=Cc1ccc(C(=[N@H])N)cc1)c2cccnc2
InChi:InChI=1S/C14H13N5O/c15-13(16)11-5-3-10(4-6-11)8-18-19-14(20)12-2-1-7-17-9-12/h1-9H,(H3,15,16)(H,19,20)/b18-8+
Definition date:2009-10-13
Last modified:2011-06-04
Identifier:4-{(E)-[2-(pyridin-3-ylcarbonyl)hydrazinylidene]methyl}benzenecarboximidamide
H0E
H0E
Name:(10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol
Formula:C24 H29 N3 O4 S
SMILES:O=S(=O)(c3ccc2N1C(=NCC(C)(C)C1)C(O)c2c3)N5C(COc4ccccc4)CCC5
InChi:InChI=1S/C24H29N3O4S/c1-24(2)15-25-23-22(28)20-13-19(10-11-21(20)26(23)16-24)32(29,30)27-12-6-7-17(27)14-31-18-8-4-3-5-9-18/h3-5,8-11,13,17,22,28H,6-7,12,14-16H2,1-2H3/t17-,22-/m0/s1
Definition date:2009-04-10
Last modified:2011-06-04
Identifier:(10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol
H13
H13
Name:N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide
Formula:C23 H39 N O3
SMILES:O=C(NC(CC(O)c1ccccc1)CO)CCCCCCCCCCCC
InChi:InChI=1S/C23H39NO3/c1-2-3-4-5-6-7-8-9-10-14-17-23(27)24-21(19-25)18-22(26)20-15-12-11-13-16-20/h11-13,15-16,21-22,25-26H,2-10,14,17-19H2,1H3,(H,24,27)/t21-,22-/m1/s1
Definition date:2009-04-22
Last modified:2011-06-04
Identifier:N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide
H15
H15
Name:N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]pentadecanamide
Formula:C25 H43 N O3
SMILES:O=C(NC(CC(O)c1ccccc1)CO)CCCCCCCCCCCCCC
InChi:InChI=1S/C25H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25(29)26-23(21-27)20-24(28)22-17-14-13-15-18-22/h13-15,17-18,23-24,27-28H,2-12,16,19-21H2,1H3,(H,26,29)/t23-,24-/m1/s1
Definition date:2009-04-22
Last modified:2011-06-04
Identifier:N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]pentadecanamide
H21
H21
Name:5-chloro-N-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide
Formula:C20 H14 Cl F N6 O3 S
SMILES:O=C(Nc1ncn(n1)CC(=O)Nc3ccc(N2C=CC=CC2=O)cc3F)c4sc(Cl)cc4
InChi:InChI=1S/C20H14ClFN6O3S/c21-16-7-6-15(32-16)19(31)25-20-23-11-27(26-20)10-17(29)24-14-5-4-12(9-13(14)22)28-8-2-1-3-18(28)30/h1-9,11H,10H2,(H,24,29)(H,25,26,31)
Definition date:2008-06-12
Last modified:2011-06-04
Identifier:5-chloro-N-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide
H22
H22
Name:5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
Formula:C22 H20 Cl F N4 O3 S
SMILES:O=C(NC3CCN(CC(=O)Nc2ccc(N1C=CC=CC1=O)cc2F)C3)c4sc(Cl)cc4
InChi:InChI=1S/C22H20ClFN4O3S/c23-19-7-6-18(32-19)22(31)25-14-8-10-27(12-14)13-20(29)26-17-5-4-15(11-16(17)24)28-9-2-1-3-21(28)30/h1-7,9,11,14H,8,10,12-13H2,(H,25,31)(H,26,29)/t14-/m1/s1
Definition date:2008-06-11
Last modified:2011-06-04
Identifier:5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
H25
H25
Name:5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide
Formula:C22 H20 Cl F N4 O4 S
SMILES:O=C(NC3C(O)CN(CC(=O)Nc2ccc(N1C=CC=CC1=O)cc2F)C3)c4sc(Cl)cc4
InChi:InChI=1S/C22H20ClFN4O4S/c23-19-7-6-18(33-19)22(32)26-16-10-27(11-17(16)29)12-20(30)25-15-5-4-13(9-14(15)24)28-8-2-1-3-21(28)31/h1-9,16-17,29H,10-12H2,(H,25,30)(H,26,32)/t16-,17-/m0/s1
Definition date:2008-06-26
Last modified:2011-06-04
Identifier:5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide
H2U
H2U
Name:5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE
Formula:C9 H15 N2 O9 P
SMILES:O=C1N(CCC(=O)N1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C9H15N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h4,6-8,13-14H,1-3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:5'-uridylic acid
H33
H33
Name:8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
Formula:C7 H7 Cl N4 O2
SMILES:O=C2N(c1nc(Cl)nc1C(=O)N2C)C
InChi:InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
Definition date:2007-04-02
Last modified:2011-06-04
Identifier:8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
H35
H35
Name:N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE
Formula:C10 H9 N5 O
SMILES:n2c(NCc1occc1)c3ncnc3nc2
InChi:InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
Definition date:2007-04-02
Last modified:2011-06-04
Identifier:N-(furan-2-ylmethyl)-7H-purin-6-amine

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