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UN3

UN3
Name:	(2-METHYL-5-PHENYL-2H-PYRAZOL-3-YL)-SULFAMIC ACID
Formula:	C10 H11 N3 O3 S
SMILES:	O=S(=O)(O)Nc1cc(nn1C)c2ccccc2
InChi:	InChI=1S/C10H11N3O3S/c1-13-10(12-17(14,15)16)7-9(11-13)8-5-3-2-4-6-8/h2-7,12H,1H3,(H,14,15,16)
Synonyms:	1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID
Definition date:	2005-12-01
Last modified:	2020-06-17
Identifier:	(1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfamic acid

TGT

TGT
Name:	TAGETITOXIN
Formula:	C11 H17 N2 O11 P S
SMILES:	O=C(N)C1(O)SCC2(OC1C(OC(=O)C)C(N)C2OP(=O)(O)O)C(=O)O
InChi:	InChI=1S/C11H17N2O11PS/c1-3(14)22-5-4(12)6(24-25(19,20)21)10(9(16)17)2-26-11(18,8(13)15)7(5)23-10/h4-7,18H,2,12H2,1H3,(H2,13,15)(H,16,17)(H2,19,20,21)/t4-,5+,6+,7+,10+,11+/m0/s1
Synonyms:	(1R,4R,5R,6R,7S,8R)-6-ACETOXY-7-AMINO-4-CARBAMOYL-4-HYDROXY-8-(PHOSPHONOOXY)-9-OXA-3-THIABICYCLO[3.3.1]NONANE-1-CARBOXY LIC ACID
Definition date:	2005-11-01
Last modified:	2020-06-17
Identifier:	(1R,4R,5R,6R,7S,8R)-6-(acetyloxy)-7-amino-4-carbamoyl-4-hydroxy-8-(phosphonooxy)-9-oxa-3-thiabicyclo[3.3.1]nonane-1-carboxylic acid (non-preferred name)

XJ0

XJ0
Name:	(E)-3-(2-AMINO-PYRIDINE-5YL)-ACRYLIC ACID
Formula:	C7 H7 N3 O2
SMILES:	O=C(O)/C=C/c1cnc(nc1)N
InChi:	InChI=1S/C7H7N3O2/c8-7-9-3-5(4-10-7)1-2-6(11)12/h1-4H,(H,11,12)(H2,8,9,10)/b2-1+
Synonyms:	(2E)-3-(2-AMINOPYRIMIDIN-5-YL)PROP-2-ENOIC ACID
Definition date:	2010-07-01
Last modified:	2020-06-17
Identifier:	(2E)-3-(2-aminopyrimidin-5-yl)prop-2-enoic acid

AV3

AV3
Name:	4-[(4-fluoro-2-methyl-3H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline
Formula:	C25 H27 F N4 O3
SMILES:	c12CC(C)=Nc1ccc(c2F)Oc4c3cc(OC)c(cc3ncn4)OCCCN5CCCC5
InChi:	InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,13-15H,3-5,8-12H2,1-2H3
Synonyms:	Cediranib
Definition date:	2018-11-26
Last modified:	2020-06-17
Release date:	2020-01-01
Identifier:	4-[(4-fluoro-2-methyl-3H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline

5OP

5OP
Name:	(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID
Formula:	C20 H30 O5
SMILES:	O=C(O)CCC/C=C/CC1C(=O)CC(O)C1C=CC(=O)CCCCC
InChi:	InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4?,13-12+
Synonyms:	15-OXO-PGE2
Definition date:	2003-11-11
Last modified:	2020-06-17
Identifier:	(8beta,13E)-11-hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid

RFC

RFC
Name:	(R)-IBUPROFENOYL-COENZYME A
Formula:	C34 H53 N7 O17 P3 S
SMILES:	O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC([n+]2cnc1c2ncnc1N)C(O)C3OP(=O)(O)O)C(c4ccc(cc4)CC(C)C)C
InChi:	InChI=1S/C34H52N7O17P3S/c1-19(2)14-21-6-8-22(9-7-21)20(3)33(46)62-13-12-36-24(42)10-11-37-31(45)28(44)34(4,5)16-55-61(52,53)58-60(50,51)54-15-23-27(57-59(47,48)49)26(43)32(56-23)41-18-40-25-29(35)38-17-39-30(25)41/h6-9,17-20,23,26-28,32,43-44H,10-16H2,1-5H3,(H8,35,36,37,38,39,42,45,47,48,49,50,51,52,53)/p+1/t20-,23-,26-,27-,28+,32-/m1/s1
Synonyms:	[5-(6-AMINOPURIN-9-YL)-2-[[[[3-[2-(2-(R)-2-[4-(2-METHYLPROPYL)PHENYL] PROPANOYL)-SULFANYLETHYLCARBAMOYL ETHYLCARBAMOYL]-3-HYDROXY-2,2-DIMETHYL-PROPOXY]-HYDROXY-PHOSPHORYL]OXY-HYDROXY-PHOSPHORYL]OXYMETHYL]-4-HYDROXY-OXOLAN-3- YL]OXYPHOSPHONIC ACID
Definition date:	2006-03-23
Last modified:	2020-06-17
Identifier:	6-amino-9-[(2R,3R,4S,5R)-3-hydroxy-4-(phosphonooxy)-5-{(3S,5R,9R,20R)-3,5,9-trihydroxy-8,8-dimethyl-20-[4-(2-methylpropyl)phenyl]-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-1-yl}tetrahydrofuran-2-yl]-7H-purin-9-ium (non-preferred name)

PTQ

PTQ
Name:	2-phenylethyl 1-thio-beta-D-galactopyranoside
Formula:	C14 H20 O5 S
SMILES:	S(CCc1ccccc1)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C14H20O5S/c15-8-10-11(16)12(17)13(18)14(19-10)20-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11+,12+,13-,14+/m1/s1
Synonyms:	2-Phenylethyl beta-D-thiogalactoside, PETG
Definition date:	2010-08-26
Last modified:	2020-06-17
Identifier:	2-phenylethyl 1-thio-beta-D-galactopyranoside

AV6

AV6
Name:	4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol
Formula:	C17 H14 N2 O2
SMILES:	N=3c2cccc1cccc(c12)NC=3c4ccc(O)c(O)c4
InChi:	InChI=1S/C17H14N2O2/c20-14-8-7-11(9-15(14)21)17-18-12-5-1-3-10-4-2-6-13(19-17)16(10)12/h1-9,17-21H
Synonyms:	4-{2,4-DIAZATRICYCLO[7.3.1.0]TRIDECA- 1(12),5,7,9(13),10-PENTAEN-3-YL}BENZENE-1,2-DIOL
Definition date:	2011-05-03
Last modified:	2020-06-17
Identifier:	4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol

SNR

SNR
Name:	NORBIOTIN
Formula:	C9 H14 N2 O3 S
SMILES:	O=C1NC2C(SCC2N1)CCCC(=O)O
InChi:	InChI=1S/C9H14N2O3S/c12-7(13)3-1-2-6-8-5(4-15-6)10-9(14)11-8/h5-6,8H,1-4H2,(H,12,13)(H2,10,11,14)/t5-,6-,8-/m0/s1
Synonyms:	4-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-BUTYRIC ACID
Definition date:	2002-04-10
Last modified:	2020-06-17
Identifier:	4-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]butanoic acid

T25

T25
Name:	(9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid
Formula:	C18 H32 O3
SMILES:	O=C(O)CCCCCCC/C=CCC1OC1CCCCC
InChi:	InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m0/s1
Synonyms:	12R,13S-epoxy-9(Z)-octadecenoic acid
Definition date:	2007-10-10
Last modified:	2020-06-17
Identifier:	(9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid

SNT

SNT
Name:	(E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine
Formula:	C23 H27 N5
SMILES:	N(=C/c1c(n(nc1C)c2ccccc2)C)N3CCN(CC3)Cc4ccccc4
InChi:	InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3/b24-17+
Synonyms:	SANT-1
Definition date:	2013-10-18
Last modified:	2020-06-17
Release date:	2014-01-22
Identifier:	(E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine

UNC

UNC
Name:	5-AMINO-6-NITROPYRIMIDINE-2,4(1H,3H)-DIONE
Formula:	C4 H4 N4 O4
SMILES:	O=[N+]([O-])C1=C(C(=O)NC(=O)N1)N
InChi:	InChI=1S/C4H4N4O4/c5-1-2(8(11)12)6-4(10)7-3(1)9/h5H2,(H2,6,7,9,10)
Synonyms:	5-AMINO 6-NITRO URACIL
Definition date:	2004-10-28
Last modified:	2020-06-17
Identifier:	5-amino-6-nitropyrimidine-2,4(1H,3H)-dione

T27

T27
Name:	4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
Formula:	C22 H18 N6
SMILES:	N#CC=Cc1cc(c(c(c1)C)Nc2nc(ncc2)Nc3ccc(C#N)cc3)C
InChi:	InChI=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+
Synonyms:	Rilpivirine
Definition date:	2007-11-21
Last modified:	2020-06-17
Identifier:	4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile

PTU

PTU
Name:	2-ETHYL-1-PHENYL-ISOTHIOUREA
Formula:	C9 H12 N2 S
SMILES:	S(C(=N/c1ccccc1)N)CC
InChi:	InChI=1S/C9H12N2S/c1-2-12-9(10)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11)
Synonyms:	S-ETHYL-N-PHENYL-ISOTHIOUREA
Definition date:	1999-09-22
Last modified:	2020-06-17
Identifier:	ethyl N'-phenylimidothiocarbamate

SNW

SNW
Name:	Deoxyfructosylglutamine
Formula:	C11 H20 N2 O8
SMILES:	NC(=O)CC[CH](NC[C]1(O)OC[CH](O)[CH](O)[CH]1O)C(O)=O
InChi:	InChI=1S/C11H20N2O8/c12-7(15)2-1-5(10(18)19)13-4-11(20)9(17)8(16)6(14)3-21-11/h5-6,8-9,13-14,16-17,20H,1-4H2,(H2,12,15)(H,18,19)/t5-,6+,8+,9-,11+/m0/s1
Synonyms:	santhopine
Definition date:	2016-06-12
Last modified:	2020-06-17
Release date:	2016-09-21
Identifier:	(2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{R},3~{S},4~{R},5~{R})-2,3,4,5-tetrakis(oxidanyl)oxan-2-yl]methylamino]pentanoic acid

XXZ

XXZ
Name:	1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE
Formula:	C20 H22 F N5 O
SMILES:	O=C(c1ccc(cc1)CN)N4CCC3(N=C(c2c(cccc2F)N3)N)CC4
InChi:	InChI=1S/C20H22FN5O/c21-15-2-1-3-16-17(15)18(23)25-20(24-16)8-10-26(11-9-20)19(27)14-6-4-13(12-22)5-7-14/h1-7,24H,8-12,22H2,(H2,23,25)
Synonyms:	AR-C120011
Definition date:	2006-04-27
Last modified:	2020-06-17
Identifier:	1-{[4-(aminomethyl)phenyl]carbonyl}-5'-fluoro-1'H-spiro[piperidine-4,2'-quinazolin]-4'-amine

PTW

PTW
Name:	1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane
Formula:	C6 H12 N3 P
SMILES:	N13CN2CN(CP(C1)C2)C3
InChi:	InChI=1S/C6H12N3P/c1-7-2-9-3-8(1)5-10(4-7)6-9/h1-6H2
Synonyms:	1,3,5-Triaza-7-phosphaadamantane
Definition date:	2010-05-06
Last modified:	2020-06-17
Identifier:	1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane

5OY

5OY
Name:	5-phosphono-L-norvaline
Formula:	C5 H12 N O5 P
SMILES:	N[CH](CCC[P](O)(O)=O)C(O)=O
InChi:	InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m0/s1
Synonyms:	(2~{S})-2-azanyl-5-phosphono-pentanoic acid
Definition date:	2015-11-02
Last modified:	2020-06-17
Release date:	2016-11-09
Identifier:	(2~{S})-2-azanyl-5-phosphono-pentanoic acid

5OZ

5OZ
Name:	2-methylpropanal
Formula:	C4 H8 O
SMILES:	CC(C)C=O
InChi:	InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
Synonyms:	Isobutyraldehyde
Definition date:	2015-11-03
Last modified:	2020-06-17
Release date:	2016-11-16
Identifier:	2-methylpropanal

AVE

AVE
Name:	4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid
Formula:	C16 H8 Cl F5 N2 O5
SMILES:	O=C(c1cc(F)c(F)cc1Cl)NC(=O)Nc2ccc(C(=O)O)cc2OC(F)(F)F
InChi:	InChI=1S/C16H8ClF5N2O5/c17-8-5-10(19)9(18)4-7(8)13(25)24-15(28)23-11-2-1-6(14(26)27)3-12(11)29-16(20,21)22/h1-5H,(H,26,27)(H2,23,24,25,28)
Synonyms:	4-({[(2-chloro-4,5-difluorophenyl)carbonyl]carbamoyl}amino)-3-(trifluoromethoxy)benzoic acid
Definition date:	2008-03-10
Last modified:	2020-06-17
Identifier:	4-({[(2-chloro-4,5-difluorophenyl)carbonyl]carbamoyl}amino)-3-(trifluoromethoxy)benzoic acid

AVF

AVF
Name:	1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid
Formula:	C20 H17 Cl F3 N3 O4
SMILES:	Fc1cc(c(Cl)cc1F)C(=O)NC(=O)Nc2cc(F)ccc2N3CCC(C(=O)O)CC3
InChi:	InChI=1S/C20H17ClF3N3O4/c21-13-9-15(24)14(23)8-12(13)18(28)26-20(31)25-16-7-11(22)1-2-17(16)27-5-3-10(4-6-27)19(29)30/h1-2,7-10H,3-6H2,(H,29,30)(H2,25,26,28,31)
Synonyms:	1-[2-({[(2-chloro-4,5-difluorophenyl)carbonyl]carbamoyl}amino)-4-fluorophenyl]piperidine-4-carboxylic acid
Definition date:	2008-03-11
Last modified:	2020-06-17
Identifier:	1-[2-({[(2-chloro-4,5-difluorophenyl)carbonyl]carbamoyl}amino)-4-fluorophenyl]piperidine-4-carboxylic acid

Q9C

Q9C
Name:	N-{4-[(3-aminopropyl)amino]butyl}acetamide
Formula:	C9 H21 N3 O
SMILES:	O=C(NCCCCNCCCN)C
InChi:	InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)
Synonyms:	N8-acetylspermidine
Definition date:	2011-02-16
Last modified:	2020-06-17
Identifier:	N-{4-[(3-aminopropyl)amino]butyl}acetamide

TH7

TH7
Name:	2,4-dihydroxybenzenesulfenic acid
Formula:	C6 H6 O3 S
SMILES:	OSc1ccc(O)cc1O
InChi:	InChI=1S/C6H6O3S/c7-4-1-2-6(10-9)5(8)3-4/h1-3,7-9H
Synonyms:	4-HYDROXYSULFANYLBENZENE-1,3-DIOL
Definition date:	2009-12-22
Last modified:	2020-06-17
Identifier:	4-hydroxysulfanylbenzene-1,3-diol

YOK

YOK
Name:	[[2,2'-[4-CARBOXYETHYL-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON
Formula:	C23 H18 Fe N2 O4
SMILES:	O=C(O)CCc6cc1c([N+]4=Cc5ccccc5O[Fe]24Oc3c(C=[N+]12)cccc3)cc6
InChi:	InChI=1S/C23H20N2O4.Fe/c26-21-7-3-1-5-17(21)14-24-19-11-9-16(10-12-23(28)29)13-20(19)25-15-18-6-2-4-8-22(18)27
Synonyms:	SALOPHEN-10-PROPIONATE IRON CHELATE
Definition date:	2005-03-09
Last modified:	2020-06-17
Identifier:	{3-[3,4-bis({[2-(hydroxy-kappaO)phenyl]methylidene}amino-kappaN)phenyl]propanoato(2-)}iron(2+)

TH9

TH9
Name:	(2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid
Formula:	C19 H27 N O5
SMILES:	O=C(O)C(O)=CC(=O)NCCCc1cc(OCCCCCC)ccc1
InChi:	InChI=1S/C19H27NO5/c1-2-3-4-5-12-25-16-10-6-8-15(13-16)9-7-11-20-18(22)14-17(21)19(23)24/h6,8,10,13-14,21H,2-5,7,9,11-12H2,1H3,(H,20,22)(H,23,24)/b17-14-
Synonyms:	BPH-1063
Definition date:	2011-08-24
Last modified:	2020-06-17
Identifier:	(2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid

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