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CK4
CK4
Name:4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
Formula:C16 H13 F3 N4 S
SMILES:FC(F)(F)c1ccc(cc1)Nc3nc(c2sc(nc2C)C)ccn3
InChi:InChI=1S/C16H13F3N4S/c1-9-14(24-10(2)21-9)13-7-8-20-15(23-13)22-12-5-3-11(4-6-12)16(17,18)19/h3-8H,1-2H3,(H,20,22,23)
Synonyms:4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(4-TRIFLUOROMETHYL-PHENYL)-AMINE
Definition date:2003-07-07
Last modified:2020-06-17
Identifier:4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
RNA
RNA
Name:4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE
Formula:C16 H14 N2 O4 S2
SMILES:O=C1N=C(S/C1=Cc2oc(cc2)C)NS(=O)(=O)c3ccc(cc3)C
InChi:InChI=1S/C16H14N2O4S2/c1-10-3-7-13(8-4-10)24(20,21)18-16-17-15(19)14(23-16)9-12-6-5-11(2)22-12/h3-9H,1-2H3,(H,17,18,19)/b14-9-
Synonyms:(Z)-4-METHYL-N-(5-((5-METHYLFURAN-2-YL)METHYLENE)-4-OXO-4,5-DIHYDROTHIAZOL-2-YL)BENZENESULFONAMIDE
Definition date:2006-08-02
Last modified:2020-06-17
Identifier:4-methyl-N-{(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}benzenesulfonamide
RYN
RYN
Name:N-ethyl-N'-(1-methylethyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
Formula:C9 H17 N5 S
SMILES:S(c1nc(nc(n1)NC(C)C)NCC)C
InChi:InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
Synonyms:Ametryn
Definition date:2010-03-05
Last modified:2020-06-17
Identifier:N-ethyl-6-(methylsulfanyl)-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine
S1T
S1T
Name:2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1S)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE
Formula:C15 H23 N3 O8 P2 S
SMILES:O=P(O)(O)OP(=O)(O)OCCc1sc(c(c1C)Cc2cnc(nc2N)C)C(O)C
InChi:InChI=1S/C15H23N3O8P2S/c1-8-12(6-11-7-17-10(3)18-15(11)16)14(9(2)19)29-13(8)4-5-25-28(23,24)26-27(20,21)22/h7,9,19H,4-6H2,1-3H3,(H,23,24)(H2,16,17,18)(H2,20,21,22)/t9-/m0/s1
Synonyms:2-[(1S)-1-HYDROXYETHYL]-3-DEAZA-THDP
Definition date:2007-06-18
Last modified:2020-06-17
Identifier:2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1S)-1-hydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate
CYR
CYR
Name:N~5~-[{[(2R)-2-AMINO-2-CARBOXYETHYL]SULFANYL}(IMINIO)METHYL]-L-ORNITHINATE
Formula:C9 H19 N4 O4 S
SMILES:O=C(O)C(N)CCCNC(SCC(N)C(=O)O)=[NH2+]
InChi:InChI=1S/C9H18N4O4S/c10-5(7(14)15)2-1-3-13-9(12)18-4-6(11)8(16)17/h5-6H,1-4,10-11H2,(H2,12,13)(H,14,15)(H,16,17)/p+1/t5-,6-/m0/s1
Synonyms:L-CYSTEIN-S-1-(IMINOMETHYL)-L-ORNITHINE
Definition date:2005-08-04
Last modified:2020-06-17
Identifier:{[(4S)-4-amino-4-carboxybutyl]amino}{[(2R)-2-amino-2-carboxyethyl]sulfanyl}methaniminium
SFI
SFI
Name:2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid
Formula:C20 H17 F O2 S
SMILES:O=C(O)CC=2c3cc(F)ccc3C(=C/c1ccc(SC)cc1)C=2C
InChi:InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
Synonyms:sulindac sulfide
Definition date:2011-05-19
Last modified:2020-06-17
Identifier:{(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfanyl)benzylidene]-1H-inden-3-yl}acetic acid
D76
D76
Name:(2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]PIPERAZ INE-2-CARBOXAMIDE
Formula:C23 H24 Cl N5 O4 S2
SMILES:Clc2ccc1cc(ccc1c2)S(=O)(=O)N5CC(C(=O)N)N(C(=O)c3nc4c(s3)CN(CC4)C)CC5
InChi:InChI=1S/C23H24ClN5O4S2/c1-27-7-6-18-20(13-27)34-22(26-18)23(31)29-9-8-28(12-19(29)21(25)30)35(32,33)17-5-3-14-10-16(24)4-2-15(14)11-17/h2-5,10-11,19H,6-9,12-13H2,1H3,(H2,25,30)/t19-/m1/s1
Synonyms:1-[6-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO(5,4-C)PYRIDIN-2-YL] CARBONYL-2-CARBAMOYL-4-(6-CHLORONAPHTH-2-YLSULPHONYL)PIPERAZINE
Definition date:2003-11-10
Last modified:2020-06-17
Identifier:(2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]piperazine-2-carboxamide
093
093
Name:N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE
Formula:C14 H16 Cl N3 O4 S2
SMILES:O=C(N=C1/SC(=C(N1)C)c2ccc(Cl)c(c2)S(=O)(=O)NCCO)C
InChi:InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
Synonyms:PIK-93
Definition date:2006-03-16
Last modified:2020-06-17
Identifier:N-[(2Z)-5-{4-chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2(3H)-ylidene]acetamide
ESJ
ESJ
Name:(4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Formula:C11 H8 N2 O3 S2
SMILES:O=C(O)C1N=C(SC1)c2sc3cc(O)ccc3n2
InChi:InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m1/s1
Synonyms:D-LUCIFERIN
Definition date:2014-05-05
Last modified:2020-06-17
Release date:2015-03-18
Identifier:(4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
EZL
EZL
Name:6-ethoxy-1,3-benzothiazole-2-sulfonamide
Formula:C9 H10 N2 O3 S2
SMILES:O=S(=O)(c1nc2ccc(OCC)cc2s1)N
InChi:InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
Synonyms:Ethoxzolamide
Definition date:2008-02-21
Last modified:2020-06-17
Identifier:6-ethoxy-1,3-benzothiazole-2-sulfonamide
5G9
5G9
Name:4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
Formula:C17 H11 Cl N4 S
SMILES:n1c(ccc2ncccc12)c4c(c3cc(Cl)ccc3)nc(N)s4
InChi:InChI=1S/C17H11ClN4S/c18-11-4-1-3-10(9-11)15-16(23-17(19)22-15)14-7-6-12-13(21-14)5-2-8-20-12/h1-9H,(H2,19,22)
Synonyms:GW780159X
Definition date:2015-09-22
Last modified:2020-06-17
Release date:2015-09-30
Identifier:4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
2BS
2BS
Name:ethyl 2-amino-1,3-benzothiazole-6-carboxylate
Formula:C10 H10 N2 O2 S
SMILES:CCOC(=O)c1ccc2nc(N)sc2c1
InChi:InChI=1S/C10H10N2O2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12)
Synonyms:2-amino-benzothiazole-6-carboxylic acid ethyl ester
Definition date:2009-11-03
Last modified:2020-06-17
Identifier:ethyl 2-azanyl-1,3-benzothiazole-6-carboxylate
2CU
2CU
Name:3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide
Formula:C19 H24 Cl N5 O3 S
SMILES:Clc2c(c3c(nc2OCC(=O)N1CCN(C)CC1)sc(c3N)C(=O)NC4CC4)C
InChi:InChI=1S/C19H24ClN5O3S/c1-10-13-15(21)16(17(27)22-11-3-4-11)29-19(13)23-18(14(10)20)28-9-12(26)25-7-5-24(2)6-8-25/h11H,3-9,21H2,1-2H3,(H,22,27)
Synonyms:LY2119620 positive allosteric modulator of M2/M4 receptor
Definition date:2013-09-20
Last modified:2020-06-17
Release date:2013-11-27
Identifier:3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide
HAG
HAG
Name:4-S-GLUTATHIONYL-5-PENTYL-TETRAHYDRO-FURAN-2-OL
Formula:C19 H33 N3 O8 S
SMILES:O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC1C(OC(O)C1)CCCCC
InChi:InChI=1S/C19H33N3O8S/c1-2-3-4-5-13-14(8-17(26)30-13)31-10-12(18(27)21-9-16(24)25)22-15(23)7-6-11(20)19(28)29/h11-14,17,26H,2-10,20H2,1H3,(H,21,27)(H,22,23)(H,24,25)(H,28,29)/t11-,12-,13+,14-,17+/m0/s1
Synonyms:GSHNA
Definition date:1999-07-27
Last modified:2020-06-17
Identifier:L-gamma-glutamyl-S-[(2R,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]-L-cysteinylglycine
DH4
DH4
Name:2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:C15 H25 N3 O3 S
SMILES:O=C(O)C1NC(SC1(C)C)C(/N=C/N2CCCCCC2)C=O
InChi:InChI=1S/C15H25N3O3S/c1-15(2)12(14(20)21)17-13(22-15)11(9-19)16-10-18-7-5-3-4-6-8-18/h9-13,17H,3-8H2,1-2H3,(H,20,21)/b16-10+/t11-,12?,13?/m1/s1
Synonyms:Mecillinam, bound form
Definition date:2010-06-25
Last modified:2020-06-17
Identifier:2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
HGD
HGD
Name:mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine)
Formula:C20 H32 Hg N6 O12 S2
SMILES:O=C(NC(C(=O)NCC(=O)O)CS[Hg]SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CCC(C(=O)O)N
InChi:InChI=1S/2C10H17N3O6S.Hg/c2*11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16
Synonyms:S-Mercury glutathione
Definition date:2013-10-31
Last modified:2020-06-17
Release date:2014-03-19
Identifier:mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine)
HTL
HTL
Name:2-ACETYL-THIAMINE DIPHOSPHATE
Formula:C14 H21 N4 O8 P2 S
SMILES:O=C(c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O)C
InChi:InChI=1S/C14H20N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1
Synonyms:2-ACETYL-3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-4-METHYL-5-(4,6,6-TRIHYDROXY-3,5-DIOXA-4,6-DIPHOSPHAHEX-1-YL)THIAZO LIUM INNER SALT P,P'-DIOXIDE
Definition date:2001-11-26
Last modified:2020-06-17
Identifier:2-acetyl-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
BFT
BFT
Name:S-BENZOYLTHIAMINE O-MONOPHOSPHATE
Formula:C19 H25 N4 O6 P S
SMILES:O=P(O)(O)OCCC(SC(=O)c1ccccc1)C(N(C=O)Cc2cnc(nc2N)C)C
InChi:InChI=1S/C19H25N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12-13,17H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/t13-,17+/m0/s1
Synonyms:BENFOTIAMINE
Definition date:2006-07-20
Last modified:2020-06-17
Identifier:2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-1,2,4-trideoxy-3-S-(phenylcarbonyl)-5-O-phosphono-3-thio-D-erythro-pentitol
JDR
JDR
Name:4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide
Formula:C13 H13 Cl N4 O3 S2
SMILES:O=S(=O)(N)c1ccc(cc1)CNc2nc(SC)nc(Cl)c2C=O
InChi:InChI=1S/C13H13ClN4O3S2/c1-22-13-17-11(14)10(7-19)12(18-13)16-6-8-2-4-9(5-3-8)23(15,20)21/h2-5,7H,6H2,1H3,(H2,15,20,21)(H,16,17,18)
Synonyms:4-{[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]methyl}benzenesulfonamide
Definition date:2010-03-29
Last modified:2020-06-17
Identifier:4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide
UX7
UX7
Name:N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
Formula:C12 H12 N2 O2 S
SMILES:N(C(=O)C1CC1)c2sc3c(n2)ccc(OC)c3
InChi:InChI=1S/C12H12N2O2S/c1-16-8-4-5-9-10(6-8)17-12(13-9)14-11(15)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15)
Definition date:2020-06-03
Last modified:2020-06-12
Release date:2020-06-17
Identifier:N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
QDA
QDA
Name:N~4~,N~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine
Formula:C15 H23 N5 O2 S
SMILES:c2([N+]([O-])=O)c(NC1CCCC1)nc(nc2NC3CCCC3)SC
InChi:InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)
Definition date:2019-10-16
Last modified:2020-06-05
Release date:2020-06-10
Identifier:N~4~,N~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine
U64
U64
Name:6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile
Formula:C25 H23 F2 N5 O2 S
SMILES:c4(cc(C1(C)C2C(SC(=N1)N)(C2)C(=O)N3CCOCC3)c(F)cc4)[C@H]=C(F)c5ccc(cn5)C#N
InChi:InChI=1S/C25H23F2N5O2S/c1-24(21-12-25(21,35-23(29)31-24)22(33)32-6-8-34-9-7-32)17-10-15(2-4-18(17)26)11-19(27)20-5-3-16(13-28)14-30-20/h2-5,10-11,14,21H,6-9,12H2,1H3,(H2,29,31)/b19-11-/t21-,24+,25-/m0/s1
Definition date:2020-04-27
Last modified:2020-05-29
Release date:2020-06-03
Identifier:6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile
RA7
RA7
Name:[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol
Formula:C8 H12 N2 O2 S
SMILES:C1CN(CCO1)c2sc(CO)cn2
InChi:InChI=1S/C8H12N2O2S/c11-6-7-5-9-8(13-7)10-1-3-12-4-2-10/h5,11H,1-4,6H2
Definition date:2020-02-10
Last modified:2020-05-29
Release date:2020-06-03
Identifier:[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol
RNM
RNM
Name:(7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Formula:C18 H26 N4 S2
SMILES:Nc2nc(SCC1CCCN(C)C1)nc4c2c3CCC(Cc3s4)C
InChi:InChI=1S/C18H26N4S2/c1-11-5-6-13-14(8-11)24-17-15(13)16(19)20-18(21-17)23-10-12-4-3-7-22(2)9-12/h11-12H,3-10H2,1-2H3,(H2,19,20,21)/t11-,12-/m1/s1
Definition date:2020-02-17
Last modified:2020-05-29
Release date:2020-06-03
Identifier:(7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
SNL
SNL
Name:SPIRONOLACTONE
Formula:C24 H32 O4 S
SMILES:O=C5OC4(C3(C(C2C(SC(=O)C)CC1=CC(=O)CCC1(C)C2CC3)CC4)C)CC5
InChi:InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1
Synonyms:17-HYDROXY-7ALPHA-MERCAPTO-3-OXO-17ALPHA-PREGN-4-ENE-21- CARBOXYLIC ACID
Definition date:2005-07-18
Last modified:2020-05-27
Identifier:S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl] ethanethioate

221371

数据于2024-06-19公开中

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