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K6T

K6T
Name:	5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide
Formula:	C17 H16 N4 S
SMILES:	NC(=N)c1sc(Nc2cccc(N)c2)c(c1)c3ccccc3
InChi:	InChI=1S/C17H16N4S/c18-12-7-4-8-13(9-12)21-17-14(10-15(22-17)16(19)20)11-5-2-1-3-6-11/h1-10,21H,18H2,(H3,19,20)
Definition date:	2019-04-30
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide

K6W

K6W
Name:	4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide
Formula:	C18 H16 N2 S
SMILES:	NC(=N)c1sc(Cc2ccccc2)c(c1)c3ccccc3
InChi:	InChI=1S/C18H16N2S/c19-18(20)17-12-15(14-9-5-2-6-10-14)16(21-17)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H3,19,20)
Definition date:	2019-04-30
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide

K6Z

K6Z
Name:	4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide
Formula:	C17 H15 N3 S
SMILES:	NC(=N)c1sc(Nc2ccccc2)c(c1)c3ccccc3
InChi:	InChI=1S/C17H15N3S/c18-16(19)15-11-14(12-7-3-1-4-8-12)17(21-15)20-13-9-5-2-6-10-13/h1-11,20H,(H3,18,19)
Definition date:	2019-04-30
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide

K7N

K7N
Name:	5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide
Formula:	C16 H17 N5 S
SMILES:	NCCn1cnc(c1)c2sc(cc2c3ccccc3)C(N)=N
InChi:	InChI=1S/C16H17N5S/c17-6-7-21-9-13(20-10-21)15-12(8-14(22-15)16(18)19)11-4-2-1-3-5-11/h1-5,8-10H,6-7,17H2,(H3,18,19)
Definition date:	2019-05-01
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide

K7Q

K7Q
Name:	~{N}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide
Formula:	C13 H16 N4 O2 S
SMILES:	COc1ccc(C(=O)NCCN)c2cc(sc12)C(N)=N
InChi:	InChI=1S/C13H16N4O2S/c1-19-9-3-2-7(13(18)17-5-4-14)8-6-10(12(15)16)20-11(8)9/h2-3,6H,4-5,14H2,1H3,(H3,15,16)(H,17,18)
Definition date:	2019-05-01
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	~{N}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide

K8W

K8W
Name:	7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide
Formula:	C15 H14 N4 S
SMILES:	Cc1ccc(nc1N)c2cccc3cc(sc23)C(N)=N
InChi:	InChI=1S/C15H14N4S/c1-8-5-6-11(19-15(8)18)10-4-2-3-9-7-12(14(16)17)20-13(9)10/h2-7H,1H3,(H3,16,17)(H2,18,19)
Definition date:	2019-05-06
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide

K92

K92
Name:	5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide
Formula:	C16 H17 N5 S
SMILES:	NCCn1cncc1c2sc(cc2c3ccccc3)C(N)=N
InChi:	InChI=1S/C16H17N5S/c17-6-7-21-10-20-9-13(21)15-12(8-14(22-15)16(18)19)11-4-2-1-3-5-11/h1-5,8-10H,6-7,17H2,(H3,18,19)
Definition date:	2019-05-06
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide

KDK

KDK
Name:	4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide
Formula:	C17 H21 N3 S
SMILES:	NC(=N)c1sc(CC2CCNCC2)c(c1)c3ccccc3
InChi:	InChI=1S/C17H21N3S/c18-17(19)16-11-14(13-4-2-1-3-5-13)15(21-16)10-12-6-8-20-9-7-12/h1-5,11-12,20H,6-10H2,(H3,18,19)
Definition date:	2019-05-14
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide

U5A

U5A
Name:	[(2Z,3aS,4R,6Z,10aR)-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Formula:	C10 H17 N7 O2
SMILES:	NC(=O)OCC2C1C3(N/C(N1)=N)N(/C(N2)=N)CCC3
InChi:	InChI=1S/C10H17N7O2/c11-7-15-6-5(4-19-9(13)18)14-8(12)17-3-1-2-10(6,17)16-7/h5-6H,1-4H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t5-,6-,10+/m0/s1
Definition date:	2020-04-23
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	[(2Z,3aS,4R,6Z,10aR)-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate

TG3

TG3
Name:	ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
Formula:	C33 H52 N4 O8
SMILES:	CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC(C)C)NC(=O)[CH](NC(=O)OCc2ccccc2)[CH](C)OC(C)(C)C
InChi:	InChI=1S/C33H52N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-13,21-22,24-26,28H,8,14-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t22-,24+,25-,26+,28+/m1/s1
Definition date:	2020-06-05
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	ethyl (4~{R})-4-[[(2~{S})-4-methyl-2-[[(2~{S},3~{R})-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]pentanoate

C2I

C2I
Name:	9-[(1R,6R,8R,9S,10R,15S,17R,18S)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-17-(6-oxidanylidene-3H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-3H-purin-6-one
Formula:	C20 H22 N8 O14 P2
SMILES:	O[CH]1[CH]2O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O[P](O)(=O)OC[CH]2O[CH]1n4cnc5C(=O)N=CNc45)n6cnc7C(=O)N=CNc67
InChi:	InChI=1S/C20H22N8O14P2/c29-11-13-7(39-19(11)27-5-25-9-15(27)21-3-23-17(9)31)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)30)28-6-26-10-16(28)22-4-24-18(10)32/h3-8,11-14,19-20,29-30H,1-2H2,(H,33,34)(H,35,36)(H,21,23,31)(H,22,24,32)/t7-,8+,11-,12-,13-,14-,19+,20+/m0/s1
Definition date:	2019-06-11
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{S},17~{R},18~{S})-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-17-(6-oxidanylidene-3~{H}-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-3~{H}-purin-6-one

UU1

UU1
Name:	2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol
Formula:	C5 H7 Br N2 O
SMILES:	n1cc(cn1CCO)Br
InChi:	InChI=1S/C5H7BrN2O/c6-5-3-7-8(4-5)1-2-9/h3-4,9H,1-2H2
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol

UUG

UUG
Name:	(4-bromo-2-methoxyphenyl)methanol
Formula:	C8 H9 Br O2
SMILES:	c1(c(OC)cc(cc1)Br)CO
InChi:	InChI=1S/C8H9BrO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4,10H,5H2,1H3
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	(4-bromo-2-methoxyphenyl)methanol

UUJ

UUJ
Name:	5-bromo-2-hydroxybenzonitrile
Formula:	C7 H4 Br N O
SMILES:	c1(cc(c(cc1)O)C#N)Br
InChi:	InChI=1S/C7H4BrNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-bromo-2-hydroxybenzonitrile

UUM

UUM
Name:	5-methyl-N-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxamide
Formula:	C9 H10 N4 O2
SMILES:	N(c1cn(C)nc1)C(=O)c2noc(C)c2
InChi:	InChI=1S/C9H10N4O2/c1-6-3-8(12-15-6)9(14)11-7-4-10-13(2)5-7/h3-5H,1-2H3,(H,11,14)
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-methyl-N-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxamide

UUP

UUP
Name:	N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C10 H10 N4 O
SMILES:	n1n3cccnc3c(c1)C(NC2CC2)=O
InChi:	InChI=1S/C10H10N4O/c15-10(13-7-2-3-7)8-6-12-14-5-1-4-11-9(8)14/h1,4-7H,2-3H2,(H,13,15)
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide

UUS

UUS
Name:	4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one
Formula:	C7 H8 Br N O2
SMILES:	C=1C(Br)=CC(N(C=1)CCO)=O
InChi:	InChI=1S/C7H8BrNO2/c8-6-1-2-9(3-4-10)7(11)5-6/h1-2,5,10H,3-4H2
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one

UUV

UUV
Name:	4-bromo-1-(2-methoxyethyl)-1H-pyrazole
Formula:	C6 H9 Br N2 O
SMILES:	n1n(cc(c1)Br)CCOC
InChi:	InChI=1S/C6H9BrN2O/c1-10-3-2-9-5-6(7)4-8-9/h4-5H,2-3H2,1H3
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-bromo-1-(2-methoxyethyl)-1H-pyrazole

UUY

UUY
Name:	2-[methyl(pyridin-2-yl)amino]ethan-1-ol
Formula:	C8 H12 N2 O
SMILES:	n1ccccc1N(C)CCO
InChi:	InChI=1S/C8H12N2O/c1-10(6-7-11)8-4-2-3-5-9-8/h2-5,11H,6-7H2,1H3
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	2-[methyl(pyridin-2-yl)amino]ethan-1-ol

UV1

UV1
Name:	6-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Formula:	C11 H13 N O2
SMILES:	c2c1NC(CCCc1c(OC)cc2)=O
InChi:	InChI=1S/C11H13NO2/c1-14-10-6-3-5-9-8(10)4-2-7-11(13)12-9/h3,5-6H,2,4,7H2,1H3,(H,12,13)
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	6-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

UV7

UV7
Name:	N-[(1H-pyrazol-4-yl)methyl]acetamide
Formula:	C6 H9 N3 O
SMILES:	n1cc(cn1)CNC(C)=O
InChi:	InChI=1S/C6H9N3O/c1-5(10)7-2-6-3-8-9-4-6/h3-4H,2H2,1H3,(H,7,10)(H,8,9)
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	N-[(1H-pyrazol-4-yl)methyl]acetamide

UVA

UVA
Name:	N-methyl-2-(methylsulfonyl)aniline
Formula:	C8 H11 N O2 S
SMILES:	c1cc(S(C)(=O)=O)c(NC)cc1
InChi:	InChI=1S/C8H11NO2S/c1-9-7-5-3-4-6-8(7)12(2,10)11/h3-6,9H,1-2H3
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	N-methyl-2-(methylsulfonyl)aniline

UVD

UVD
Name:	methyl {4-[(pyridin-4-yl)methyl]phenyl}carbamate
Formula:	C14 H14 N2 O2
SMILES:	n2ccc(Cc1ccc(cc1)NC(OC)=O)cc2
InChi:	InChI=1S/C14H14N2O2/c1-18-14(17)16-13-4-2-11(3-5-13)10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	methyl {4-[(pyridin-4-yl)methyl]phenyl}carbamate

UVG

UVG
Name:	N,N-dimethyl-1H-pyrazole-4-carboxamide
Formula:	C6 H9 N3 O
SMILES:	n1ncc(c1)C(N(C)C)=O
InChi:	InChI=1S/C6H9N3O/c1-9(2)6(10)5-3-7-8-4-5/h3-4H,1-2H3,(H,7,8)
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	N,N-dimethyl-1H-pyrazole-4-carboxamide

UVJ

UVJ
Name:	3-(2-methyl-1H-benzimidazol-1-yl)propanamide
Formula:	C11 H13 N3 O
SMILES:	n2(c1ccccc1nc2C)CCC(N)=O
InChi:	InChI=1S/C11H13N3O/c1-8-13-9-4-2-3-5-10(9)14(8)7-6-11(12)15/h2-5H,6-7H2,1H3,(H2,12,15)
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	3-(2-methyl-1H-benzimidazol-1-yl)propanamide

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