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S65

S65
Name:	heptachlor endo-epoxide
Formula:	C10 H5 Cl7 O
SMILES:	Cl[CH]1[CH]2O[CH]2[CH]3[CH]1[C]4(Cl)C(=C(Cl)[C]3(Cl)C4(Cl)Cl)Cl
InChi:	InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H/t1-,2+,3+,4+,5-,8+,9-/m0/s1
Synonyms:	(1aR,1bR,5aS,6R,6aR)-2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-2H-2,5-methanoindeno[1,2-b]oxirene
Definition date:	2020-11-10
Last modified:	2021-01-08
Release date:	2021-01-13

S68

S68
Name:	endosulfan
Formula:	C9 H6 Cl6 O3 S
SMILES:	ClC1=C(Cl)[C]2(Cl)[CH]3CO[S](=O)OC[CH]3[C]1(Cl)C2(Cl)Cl
InChi:	InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8+,19+
Synonyms:	6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methanobenzo[e][1,3,2]dioxathiepine 3-oxide
Definition date:	2020-11-10
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(1~{S},2~{R},8~{S},9~{R})-1,9,10,11,12,12-hexakis(chloranyl)-4,6-dioxa-5$l^{4}-thiatricyclo[7.2.1.0^{2,8}]dodec-10-ene 5-oxide

S6E

S6E
Name:	(-)cis-chlordane
Formula:	C10 H6 Cl8
SMILES:	Cl[CH]1C[CH]2[CH]([CH]1Cl)[C]3(Cl)C(=C(Cl)[C]2(Cl)C3(Cl)Cl)Cl
InChi:	InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8-,9+/m1/s1
Synonyms:	(1~{S},2~{R},3~{S},4~{R},6~{R},7~{R})-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.0^{2,6}]dec-8-ene
Definition date:	2020-11-10
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(1~{S},2~{R},3~{S},4~{R},6~{R},7~{R})-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.0^{2,6}]dec-8-ene

S6H

S6H
Name:	(+)cis-chlordane
Formula:	C10 H6 Cl8
SMILES:	Cl[CH]1C[CH]2[CH]([CH]1Cl)[C]3(Cl)C(=C(Cl)[C]2(Cl)C3(Cl)Cl)Cl
InChi:	InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8-,9+/m0/s1
Synonyms:	(1~{R},2~{S},3~{R},4~{S},6~{S},7~{S})-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.0^{2,6}]dec-8-ene
Definition date:	2020-11-10
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(1~{R},2~{S},3~{R},4~{S},6~{S},7~{S})-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.0^{2,6}]dec-8-ene

S6T

S6T
Name:	pretilachlor
Formula:	C17 H26 Cl N O2
SMILES:	CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC
InChi:	InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3
Synonyms:	2-chloranyl-~{N}-(2,6-diethylphenyl)-~{N}-(2-propoxyethyl)ethanamide
Definition date:	2020-11-10
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-chloranyl-~{N}-(2,6-diethylphenyl)-~{N}-(2-propoxyethyl)ethanamide

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

SMU

SMU
Name:	[5,15-diphenylporphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]manganese
Formula:	C32 H20 Mn N4
SMILES:	c45ccc6C(c1ccccc1)=C7C=CC=8C=C2N9C(C=C2)=C(C3=[N+](C(C=C3)=C4)[Mn]9(n56)[N+]7=8)c%10ccccc%10
InChi:	InChI=1S/C32H20N4.Mn/c1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24
Definition date:	2020-08-13
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	[5,15-diphenylporphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]manganese(2+)

D7I

D7I
Name:	5,5'-(ethane-1,2-diylbis(oxy))bis(benzene-5,4,2,1,-tetrayl)hexakisphosphate
Formula:	C14 H20 O26 P6
SMILES:	O[P](O)(=O)Oc1cc(O[P](O)(O)=O)c(O[P](O)(O)=O)cc1OCCOc2cc(O[P](O)(O)=O)c(O[P](O)(O)=O)cc2O[P](O)(O)=O
InChi:	InChI=1S/C14H20O26P6/c15-41(16,17)35-9-5-13(39-45(27,28)29)11(37-43(21,22)23)3-7(9)33-1-2-34-8-4-12(38-44(24,25)26)14(40-46(30,31)32)6-10(8)36-42(18,19)20/h3-6H,1-2H2,(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)
Definition date:	2019-09-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	[2,4-diphosphonooxy-5-[2-(2,4,5-triphosphonooxyphenoxy)ethoxy]phenyl] dihydrogen phosphate

D84

D84
Name:	5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one
Formula:	C31 H26 F2 N4 O4
SMILES:	c1(cc(ccc1)N2CCCC2=O)OCc5n(c4cc(C3=CNC(=O)C=C3)ccc4n5)Cc6c(cccc6)OC(F)F
InChi:	InChI=1S/C31H26F2N4O4/c32-31(33)41-27-8-2-1-5-22(27)18-37-26-15-20(21-11-13-29(38)34-17-21)10-12-25(26)35-28(37)19-40-24-7-3-6-23(16-24)36-14-4-9-30(36)39/h1-3,5-8,10-13,15-17,31H,4,9,14,18-19H2,(H,34,38)
Definition date:	2017-10-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one

TEV

TEV
Name:	6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid
Formula:	C6 H6 N2 O3
SMILES:	O=C1N=C(CC(=N1)C)C(O)=O
InChi:	InChI=1S/C6H6N2O3/c1-3-2-4(5(9)10)8-6(11)7-3/h2H2,1H3,(H,9,10)
Definition date:	2020-03-20
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid

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

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

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

TJY

TJY
Name:	2-oxo-1,2-dihydroquinazoline-4-carboxylic acid
Formula:	C9 H6 N2 O3
SMILES:	O=C2N=C(C(=O)O)c1c(cccc1)N2
InChi:	InChI=1S/C9H6N2O3/c12-8(13)7-5-3-1-2-4-6(5)10-9(14)11-7/h1-4H,(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-dihydroquinazoline-4-carboxylic acid

SYQ

SYQ
Name:	(S)-N-(1-cyclopropylethyl)-6-methylpicolinamide
Formula:	C12 H16 N2 O
SMILES:	C[CH](NC(=O)c1cccc(C)n1)C2CC2
InChi:	InChI=1S/C12H16N2O/c1-8-4-3-5-11(13-8)12(15)14-9(2)10-6-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,14,15)/t9-/m0/s1
Synonyms:	~{N}-[(1~{S})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide
Definition date:	2020-12-07
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	~{N}-[(1~{S})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide

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

T3Z

T3Z
Name:	(R)-N-(1-cyclopropylethyl)-6-methylpicolinamide
Formula:	C12 H16 N2 O
SMILES:	C[CH](NC(=O)c1cccc(C)n1)C2CC2
InChi:	InChI=1S/C12H16N2O/c1-8-4-3-5-11(13-8)12(15)14-9(2)10-6-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,14,15)/t9-/m1/s1
Synonyms:	~{N}-[(1~{R})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide
Definition date:	2020-12-14
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	~{N}-[(1~{R})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide

UTM

UTM
Name:	8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline
Formula:	C36 H35 N5 O
SMILES:	N7(Cc1ccc(c(c1)OCCc2ccc(cc2)c3c4c(ccc3)ccnc4)c5cnc6c5cncc6)CCN(C)CC7
InChi:	InChI=1S/C36H35N5O/c1-40-16-18-41(19-17-40)25-27-7-10-31(33-24-39-35-12-15-38-23-34(33)35)36(21-27)42-20-13-26-5-8-29(9-6-26)30-4-2-3-28-11-14-37-22-32(28)30/h2-12,14-15,21-24,39H,13,16-20,25H2,1H3
Definition date:	2020-06-02
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline

UTS

UTS
Name:	1-benzyl-1H-benzimidazole
Formula:	C14 H12 N2
SMILES:	c1ccc(cc1)Cn3cnc2ccccc23
InChi:	InChI=1S/C14H12N2/c1-2-6-12(7-3-1)10-16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2
Definition date:	2020-06-02
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-benzyl-1H-benzimidazole

UTV

UTV
Name:	1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one
Formula:	C18 H17 F2 N O2
SMILES:	c3(CN2C(C(c1ccccc12)=O)(C)C)ccccc3OC(F)F
InChi:	InChI=1S/C18H17F2NO2/c1-18(2)16(22)13-8-4-5-9-14(13)21(18)11-12-7-3-6-10-15(12)23-17(19)20/h3-10,17H,11H2,1-2H3
Definition date:	2020-06-02
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one

UTY

UTY
Name:	3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile
Formula:	C28 H29 N7 O3
SMILES:	N5(CCN(c1ncc(cn1)c3ccc2C(=O)C(C)(N(c2c3)Cc4cccnc4C#N)C)CC5C)C(CO)=O
InChi:	InChI=1S/C28H29N7O3/c1-18-15-33(9-10-34(18)25(37)17-36)27-31-13-21(14-32-27)19-6-7-22-24(11-19)35(28(2,3)26(22)38)16-20-5-4-8-30-23(20)12-29/h4-8,11,13-14,18,36H,9-10,15-17H2,1-3H3/t18-/m1/s1
Definition date:	2020-06-02
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile

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