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S6W

S6W
Name:	fipronil
Formula:	C12 H4 Cl2 F6 N4 O S
SMILES:	Nc1n(nc(C#N)c1[S](=O)C(F)(F)F)c2c(Cl)cc(cc2Cl)C(F)(F)F
InChi:	InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2/t26-/m1/s1
Synonyms:	5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile
Definition date:	2020-11-10
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile

S6Y

S6Y
Name:	6-(2-methylpropyl)-2-oxidanylidene-5~{H}-pyrimidine-4-carboxylic acid
Formula:	C9 H12 N2 O3
SMILES:	CC(C)CC1=NC(=O)NC(=C1)C(O)=O
InChi:	InChI=1S/C9H12N2O3/c1-5(2)3-6-4-7(8(12)13)11-9(14)10-6/h4-5H,3H2,1-2H3,(H,12,13)(H,10,11,14)
Definition date:	2020-03-05
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	4-(2-methylpropyl)-2-oxidanylidene-1~{H}-pyrimidine-6-carboxylic acid

S6Z

S6Z
Name:	oxadiazon
Formula:	C15 H18 Cl2 N2 O3
SMILES:	CC(C)Oc1cc(N2N=C(OC2=O)C(C)(C)C)c(Cl)cc1Cl
InChi:	InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3
Synonyms:	3-[2,4-bis(chloranyl)-5-propan-2-yloxy-phenyl]-5-~{tert}-butyl-1,3,4-oxadiazol-2-one
Definition date:	2020-11-10
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	3-[2,4-bis(chloranyl)-5-propan-2-yloxy-phenyl]-5-~{tert}-butyl-1,3,4-oxadiazol-2-one

W9D

W9D
Name:	5-{[4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3H)-one
Formula:	C24 H22 N6 O4
SMILES:	c1cc(cc2c1C(OC2(C)C)=O)Nc4ncc(c3ocnn3)c(n4)NC(CO)c5ccccc5
InChi:	InChI=1S/C24H22N6O4/c1-24(2)18-10-15(8-9-16(18)22(32)34-24)27-23-25-11-17(21-30-26-13-33-21)20(29-23)28-19(12-31)14-6-4-3-5-7-14/h3-11,13,19,31H,12H2,1-2H3,(H2,25,27,28,29)/t19-/m1/s1
Definition date:	2020-10-01
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	5-{[4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3H)-one

S9H

S9H
Name:	7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
Formula:	C21 H20 N4 O2
SMILES:	COc1ccc(Nc2nccc(n2)c3ccc4NC(=O)CCCc4c3)cc1
InChi:	InChI=1S/C21H20N4O2/c1-27-17-8-6-16(7-9-17)23-21-22-12-11-19(25-21)15-5-10-18-14(13-15)3-2-4-20(26)24-18/h5-13H,2-4H2,1H3,(H,24,26)(H,22,23,25)
Definition date:	2020-11-12
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

S9K

S9K
Name:	7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
Formula:	C20 H18 N4 O
SMILES:	O=C1CCCc2cc(ccc2N1)c3ccnc(Nc4ccccc4)n3
InChi:	InChI=1S/C20H18N4O/c25-19-8-4-5-14-13-15(9-10-17(14)23-19)18-11-12-21-20(24-18)22-16-6-2-1-3-7-16/h1-3,6-7,9-13H,4-5,8H2,(H,23,25)(H,21,22,24)
Definition date:	2020-11-12
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

WPS

WPS
Name:	5-amino-3-methyl-1H-pyrazole-4-carbonitrile
Formula:	C5 H6 N4
SMILES:	n1nc(c(C#N)c1N)C
InChi:	InChI=1S/C5H6N4/c1-3-4(2-6)5(7)9-8-3/h1H3,(H3,7,8,9)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	5-amino-3-methyl-1H-pyrazole-4-carbonitrile

WPV

WPV
Name:	1-(5-bromopyridin-3-yl)methanamine
Formula:	C6 H7 Br N2
SMILES:	n1cc(cc(c1)Br)CN
InChi:	InChI=1S/C6H7BrN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H,2,8H2
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-(5-bromopyridin-3-yl)methanamine

WPY

WPY
Name:	N-(1,3-thiazol-2-yl)acetamide
Formula:	C5 H6 N2 O S
SMILES:	n1c(NC(=O)C)scc1
InChi:	InChI=1S/C5H6N2OS/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-(1,3-thiazol-2-yl)acetamide

WQ4

WQ4
Name:	5-amino-2-methyl-1,3-oxazole-4-carbonitrile
Formula:	C5 H5 N3 O
SMILES:	N#Cc1c(oc(n1)C)N
InChi:	InChI=1S/C5H5N3O/c1-3-8-4(2-6)5(7)9-3/h7H2,1H3
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	5-amino-2-methyl-1,3-oxazole-4-carbonitrile

WQ7

WQ7
Name:	1-(2-aminoethyl)pyridin-2(1H)-one
Formula:	C7 H10 N2 O
SMILES:	NCCN1C(C=CC=C1)=O
InChi:	InChI=1S/C7H10N2O/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,4,6,8H2
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-(2-aminoethyl)pyridin-2(1H)-one

WQA

WQA
Name:	2H-pyrazolo[3,4-b]pyridin-5-amine
Formula:	C6 H6 N4
SMILES:	n1c2c(cc(N)c1)cnn2
InChi:	InChI=1S/C6H6N4/c7-5-1-4-2-9-10-6(4)8-3-5/h1-3H,7H2,(H,8,9,10)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2H-pyrazolo[3,4-b]pyridin-5-amine

WQG

WQG
Name:	quinazolin-4(3H)-one
Formula:	C8 H6 N2 O
SMILES:	N2C=Nc1c(cccc1)C2=O
InChi:	InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	quinazolin-4(3H)-one

WQJ

WQJ
Name:	7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine
Formula:	C8 H10 N2 O
SMILES:	Nc2cnc1CCOCc1c2
InChi:	InChI=1S/C8H10N2O/c9-7-3-6-5-11-2-1-8(6)10-4-7/h3-4H,1-2,5,9H2
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine

WQV

WQV
Name:	N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide
Formula:	C7 H7 Br N2 O2
SMILES:	N1C(=O)C(NC(=O)C)=CC(=C1)Br
InChi:	InChI=1S/C7H7BrN2O2/c1-4(11)10-6-2-5(8)3-9-7(6)12/h2-3H,1H3,(H,9,12)(H,10,11)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide

T2K

T2K
Name:	3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid
Formula:	C18 H13 Cl2 N O3
SMILES:	OC(=O)CCc1oc(c2cc(Cl)cc(Cl)c2)c(n1)c3ccccc3
InChi:	InChI=1S/C18H13Cl2NO3/c19-13-8-12(9-14(20)10-13)18-17(11-4-2-1-3-5-11)21-15(24-18)6-7-16(22)23/h1-5,8-10H,6-7H2,(H,22,23)
Definition date:	2020-12-13
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid

QAK

QAK
Name:	(6~{R},10~{S},14~{R},19~{R},23~{S},24~{E},27~{S},28~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol
Formula:	C40 H78 O
SMILES:	CC(C)CC=C[CH](C)CC=C[CH](C)CCC[CH](C)CCCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)(C)O
InChi:	InChI=1S/C40H78O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h13,16,22,28,33-39,41H,11-12,14-15,17-21,23-27,29-32H2,1-10H3/b22-13+,28-16+/t34-,35-,36-,37+,38+,39-/m1/s1
Definition date:	2020-05-30
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(6~{R},10~{S},14~{R},19~{R},23~{S},24~{E},27~{S},28~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol

TJ4

TJ4
Name:	5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid
Formula:	C7 H8 N2 O3
SMILES:	O=C1NC(=C(C(=N1)C)C)C(O)=O
InChi:	InChI=1S/C7H8N2O3/c1-3-4(2)8-7(12)9-5(3)6(10)11/h1-2H3,(H,10,11)(H,8,9,12)
Definition date:	2020-03-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid

TJD

TJD
Name:	methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate
Formula:	C10 H8 N2 O3
SMILES:	N2=C(C(=O)OC)c1c(cccc1)NC2=O
InChi:	InChI=1S/C10H8N2O3/c1-15-9(13)8-6-4-2-3-5-7(6)11-10(14)12-8/h2-5H,1H3,(H,11,12,14)
Definition date:	2020-03-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate

VOJ

VOJ
Name:	3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine
Formula:	C20 H19 F N6 O
SMILES:	n3c(c(OC(c2cc(ccc2n1cccn1)F)C)cc(c3)c4cnnc4C)N
InChi:	InChI=1S/C20H19FN6O/c1-12-17(11-24-26-12)14-8-19(20(22)23-10-14)28-13(2)16-9-15(21)4-5-18(16)27-7-3-6-25-27/h3-11,13H,1-2H3,(H2,22,23)(H,24,26)/t13-/m0/s1
Definition date:	2020-08-31
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine

TJJ

TJJ
Name:	2-oxo-2,3-dihydropyrimidine-4-carboxylic acid
Formula:	C5 H4 N2 O3
SMILES:	O=C1N=CC=C(N1)C(O)=O
InChi:	InChI=1S/C5H4N2O3/c8-4(9)3-1-2-6-5(10)7-3/h1-2H,(H,8,9)(H,6,7,10)
Definition date:	2020-03-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-oxo-2,3-dihydropyrimidine-4-carboxylic acid

VOM

VOM
Name:	2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide
Formula:	C21 H18 F N5 O2
SMILES:	c1c(c(ccc1F)n2nccc2)C(Oc4c(nc3c(cc(cc3)C(N)=O)c4)N)C
InChi:	InChI=1S/C21H18FN5O2/c1-12(16-11-15(22)4-6-18(16)27-8-2-7-25-27)29-19-10-14-9-13(21(24)28)3-5-17(14)26-20(19)23/h2-12H,1H3,(H2,23,26)(H2,24,28)/t12-/m0/s1
Definition date:	2020-08-31
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide

VOP

VOP
Name:	[6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-1H-indazol-1-yl]acetic acid
Formula:	C23 H19 F N6 O3
SMILES:	c1c(c(cc2cnn(c12)CC(O)=O)n3nccc3)C(C)Oc4c(nc5c(c4)cc(cc5)F)N
InChi:	InChI=1S/C23H19FN6O3/c1-13(33-21-9-14-7-16(24)3-4-18(14)28-23(21)25)17-10-19-15(11-27-30(19)12-22(31)32)8-20(17)29-6-2-5-26-29/h2-11,13H,12H2,1H3,(H2,25,28)(H,31,32)/t13-/m0/s1
Definition date:	2020-08-31
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	[6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-1H-indazol-1-yl]acetic acid

TJP

TJP
Name:	methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate
Formula:	C6 H6 N2 O3
SMILES:	O=C1NC(C(=O)OC)=CC=N1
InChi:	InChI=1S/C6H6N2O3/c1-11-5(9)4-2-3-7-6(10)8-4/h2-3H,1H3,(H,7,8,10)
Definition date:	2020-03-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	methyl 2-oxo-2,3-dihydropyrimidine-4-carboxylate

TJS

TJS
Name:	2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid
Formula:	C9 H10 N2 O3
SMILES:	C1CCCC2=C1NC(N=C2C(O)=O)=O
InChi:	InChI=1S/C9H10N2O3/c12-8(13)7-5-3-1-2-4-6(5)10-9(14)11-7/h1-4H2,(H,12,13)(H,10,11,14)
Definition date:	2020-03-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid

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