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8W1

8W1
Name:	(5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
Formula:	C9 H7 F3 N2 O
SMILES:	FC(F)(F)c1cn2C=C(C)NC(=O)c2c1
InChi:	InChI=1S/C9H7F3N2O/c1-5-3-14-4-6(9(10,11)12)2-7(14)8(15)13-5/h2-4H,1H3,(H,13,15)
Definition date:	2021-10-01
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one

8WP

8WP
Name:	2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide
Formula:	C9 H7 F3 N4 O2
SMILES:	NC(=O)CC1=Cn2nc(cc2C(=O)N1)C(F)(F)F
InChi:	InChI=1S/C9H7F3N4O2/c10-9(11,12)6-2-5-8(18)14-4(1-7(13)17)3-16(5)15-6/h2-3H,1H2,(H2,13,17)(H,14,18)
Definition date:	2021-10-01
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide

8XF

8XF
Name:	6-(trifluoromethyl)pyrimidin-4-amine
Formula:	C5 H4 F3 N3
SMILES:	Nc1cc(ncn1)C(F)(F)F
InChi:	InChI=1S/C5H4F3N3/c6-5(7,8)3-1-4(9)11-2-10-3/h1-2H,(H2,9,10,11)
Definition date:	2021-10-01
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	6-(trifluoromethyl)pyrimidin-4-amine

T0P

T0P
Name:	[(2~{R},3~{R},4~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-7-phenacyl-1~{H}-purin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C18 H20 F N5 O8 P
SMILES:	NC1=Nc2c(n(CC(=O)c3ccccc3)c[n]2[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4F)C(=O)N1
InChi:	InChI=1S/C18H20FN5O8P/c19-12-14(26)11(7-31-33(28,29)30)32-17(12)24-8-23(6-10(25)9-4-2-1-3-5-9)13-15(24)21-18(20)22-16(13)27/h1-5,8,11-12,14,17,26H,6-7H2,(H2,28,29,30)(H3,20,21,22,27)/t11-,12+,14-,17-/m1/s1
Definition date:	2020-03-16
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	[(2~{R},3~{R},4~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-7-phenacyl-1~{H}-purin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

GHU

GHU
Name:	ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate
Formula:	C20 H28 N4 O4
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)OCC
InChi:	InChI=1S/C20H28N4O4/c1-3-15-18(19(21)24-20(22)23-15)28-13-7-12-27-16-9-6-5-8-14(16)10-11-17(25)26-4-2/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H4,21,22,23,24)
Definition date:	2021-12-21
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate

GI6

GI6
Name:	(2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide
Formula:	C19 H27 N5 O3
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(C)C(N)=O
InChi:	InChI=1S/C19H27N5O3/c1-3-14-16(17(20)24-19(22)23-14)27-10-6-9-26-15-8-5-4-7-13(15)11-12(2)18(21)25/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H2,21,25)(H4,20,22,23,24)/t12-/m1/s1
Definition date:	2021-12-21
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide

GQO

GQO
Name:	2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N,N-dimethylethane-1-sulfonamide
Formula:	C19 H29 N5 O4 S
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCS(=O)(=O)N(C)C
InChi:	InChI=1S/C19H29N5O4S/c1-4-15-17(18(20)23-19(21)22-15)28-12-7-11-27-16-9-6-5-8-14(16)10-13-29(25,26)24(2)3/h5-6,8-9H,4,7,10-13H2,1-3H3,(H4,20,21,22,23)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N,N-dimethylethane-1-sulfonamide

GUU

GUU
Name:	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(methanesulfonyl)propanamide
Formula:	C19 H27 N5 O5 S
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)NS(C)(=O)=O
InChi:	InChI=1S/C19H27N5O5S/c1-3-14-17(18(20)23-19(21)22-14)29-12-6-11-28-15-8-5-4-7-13(15)9-10-16(25)24-30(2,26)27/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,24,25)(H4,20,21,22,23)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(methanesulfonyl)propanamide

GWL

GWL
Name:	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanamide
Formula:	C18 H25 N5 O3
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(N)=O
InChi:	InChI=1S/C18H25N5O3/c1-2-13-16(17(20)23-18(21)22-13)26-11-5-10-25-14-7-4-3-6-12(14)8-9-15(19)24/h3-4,6-7H,2,5,8-11H2,1H3,(H2,19,24)(H4,20,21,22,23)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanamide

GXC

GXC
Name:	N-[2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)ethanesulfonyl]acetamide
Formula:	C19 H27 N5 O5 S
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCS(=O)(=O)NC(C)=O
InChi:	InChI=1S/C19H27N5O5S/c1-3-15-17(18(20)23-19(21)22-15)29-11-6-10-28-16-8-5-4-7-14(16)9-12-30(26,27)24-13(2)25/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,24,25)(H4,20,21,22,23)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	N-[2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)ethanesulfonyl]acetamide

GXJ

GXJ
Name:	(2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid
Formula:	C19 H26 N4 O4
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(C)C(=O)O
InChi:	InChI=1S/C19H26N4O4/c1-3-14-16(17(20)23-19(21)22-14)27-10-6-9-26-15-8-5-4-7-13(15)11-12(2)18(24)25/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,24,25)(H4,20,21,22,23)/t12-/m1/s1
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid

GYI

GYI
Name:	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(propane-2-sulfonyl)propanamide
Formula:	C21 H31 N5 O5 S
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)NS(=O)(=O)C(C)C
InChi:	InChI=1S/C21H31N5O5S/c1-4-16-19(20(22)25-21(23)24-16)31-13-7-12-30-17-9-6-5-8-15(17)10-11-18(27)26-32(28,29)14(2)3/h5-6,8-9,14H,4,7,10-13H2,1-3H3,(H,26,27)(H4,22,23,24,25)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(propane-2-sulfonyl)propanamide

H03

H03
Name:	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(dimethylsulfamoyl)propanamide
Formula:	C20 H30 N6 O5 S
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)NS(=O)(=O)N(C)C
InChi:	InChI=1S/C20H30N6O5S/c1-4-15-18(19(21)24-20(22)23-15)31-13-7-12-30-16-9-6-5-8-14(16)10-11-17(27)25-32(28,29)26(2)3/h5-6,8-9H,4,7,10-13H2,1-3H3,(H,25,27)(H4,21,22,23,24)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(dimethylsulfamoyl)propanamide

H0I

H0I
Name:	4-(3-{4-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]butoxy}phenyl)butanoic acid
Formula:	C20 H28 N4 O4
SMILES:	CCc1nc(N)nc(N)c1OCCCCOc1cc(CCCC(=O)O)ccc1
InChi:	InChI=1S/C20H28N4O4/c1-2-16-18(19(21)24-20(22)23-16)28-12-4-3-11-27-15-9-5-7-14(13-15)8-6-10-17(25)26/h5,7,9,13H,2-4,6,8,10-12H2,1H3,(H,25,26)(H4,21,22,23,24)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	4-(3-{4-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]butoxy}phenyl)butanoic acid

H4U

H4U
Name:	6-ethyl-5-(4-{3-[3-(1H-tetrazol-5-yl)propyl]phenoxy}butoxy)pyrimidine-2,4-diamine
Formula:	C20 H28 N8 O2
SMILES:	CCc1nc(N)nc(N)c1OCCCCOc1cccc(CCCc2nnn[NH]2)c1
InChi:	InChI=1S/C20H28N8O2/c1-2-16-18(19(21)24-20(22)23-16)30-12-4-3-11-29-15-9-5-7-14(13-15)8-6-10-17-25-27-28-26-17/h5,7,9,13H,2-4,6,8,10-12H2,1H3,(H4,21,22,23,24)(H,25,26,27,28)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	6-ethyl-5-(4-{3-[3-(1H-tetrazol-5-yl)propyl]phenoxy}butoxy)pyrimidine-2,4-diamine

H6O

H6O
Name:	(2S)-4-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)butane-1,2-diol
Formula:	C19 H28 N4 O4
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(O)CO
InChi:	InChI=1S/C19H28N4O4/c1-2-15-17(18(20)23-19(21)22-15)27-11-5-10-26-16-7-4-3-6-13(16)8-9-14(25)12-24/h3-4,6-7,14,24-25H,2,5,8-12H2,1H3,(H4,20,21,22,23)/t14-/m0/s1
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(2S)-4-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)butane-1,2-diol

H9I

H9I
Name:	3-{2-[(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}oxetan-3-yl)methoxy]phenyl}propanoic acid
Formula:	C20 H26 N4 O5
SMILES:	O=C(O)CCc1ccccc1OCC1(COc2c(N)nc(N)nc2CC)COC1
InChi:	InChI=1S/C20H26N4O5/c1-2-14-17(18(21)24-19(22)23-14)29-12-20(9-27-10-20)11-28-15-6-4-3-5-13(15)7-8-16(25)26/h3-6H,2,7-12H2,1H3,(H,25,26)(H4,21,22,23,24)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	3-{2-[(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}oxetan-3-yl)methoxy]phenyl}propanoic acid

HEI

HEI
Name:	1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)piperidine-4-carboxylic acid
Formula:	C21 H29 N5 O4
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1N1CCC(CC1)C(=O)O
InChi:	InChI=1S/C21H29N5O4/c1-2-15-18(19(22)25-21(23)24-15)30-13-5-12-29-17-7-4-3-6-16(17)26-10-8-14(9-11-26)20(27)28/h3-4,6-7,14H,2,5,8-13H2,1H3,(H,27,28)(H4,22,23,24,25)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)piperidine-4-carboxylic acid

HI9

HI9
Name:	(2E)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-en-1-ol
Formula:	C17 H23 N5 O3
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ncccc1C=CCO
InChi:	InChI=1S/C17H23N5O3/c1-2-13-14(15(18)22-17(19)21-13)24-10-5-11-25-16-12(7-4-9-23)6-3-8-20-16/h3-4,6-8,23H,2,5,9-11H2,1H3,(H4,18,19,21,22)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(2E)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-en-1-ol

HIK

HIK
Name:	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)propan-1-ol
Formula:	C17 H25 N5 O3
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ncccc1CCCO
InChi:	InChI=1S/C17H25N5O3/c1-2-13-14(15(18)22-17(19)21-13)24-10-5-11-25-16-12(7-4-9-23)6-3-8-20-16/h3,6,8,23H,2,4-5,7,9-11H2,1H3,(H4,18,19,21,22)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)propan-1-ol

HJI

HJI
Name:	(2R)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
Formula:	C19 H24 F2 N4 O4
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(C(=O)O)C(F)F
InChi:	InChI=1S/C19H24F2N4O4/c1-2-13-15(17(22)25-19(23)24-13)29-9-5-8-28-14-7-4-3-6-11(14)10-12(16(20)21)18(26)27/h3-4,6-7,12,16H,2,5,8-10H2,1H3,(H,26,27)(H4,22,23,24,25)/t12-/m0/s1
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(2R)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid

HVF

HVF
Name:	Equisetin
Formula:	C22 H31 N O4
SMILES:	CC=C[CH]1C=C[CH]2C[CH](C)CC[CH]2[C]1(C)C(=O)C3=C(O)[CH](CO)N(C)C3=O
InChi:	InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24-25H,7,10-12H2,1-4H3/b6-5+/t13-,14-,15+,16-,17-,22-/m1/s1
Synonyms:	(2R)-4-[[(1S,4aS,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]carbonyl]-2-(hydroxymethyl)-1-methyl-3-oxidanyl-2H-pyrrol-5-one
Definition date:	2021-02-10
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(2~{R})-4-[[(1~{S},4~{a}~{S},6~{R},8~{a}~{R})-1,6-dimethyl-2-[(~{E})-prop-1-enyl]-4~{a},5,6,7,8,8~{a}-hexahydro-2~{H}-naphthalen-1-yl]carbonyl]-2-(hydroxymethyl)-1-methyl-3-oxidanyl-2~{H}-pyrrol-5-one

HVR

HVR
Name:	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-yn-1-ol
Formula:	C17 H21 N5 O3
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ncccc1C#CCO
InChi:	InChI=1S/C17H21N5O3/c1-2-13-14(15(18)22-17(19)21-13)24-10-5-11-25-16-12(7-4-9-23)6-3-8-20-16/h3,6,8,23H,2,5,9-11H2,1H3,(H4,18,19,21,22)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-yn-1-ol

HWI

HWI
Name:	1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}-4-methylphenyl)azetidine-3-carboxylic acid
Formula:	C20 H27 N5 O4
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1cc(C)ccc1N1CC(C1)C(=O)O
InChi:	InChI=1S/C20H27N5O4/c1-3-14-17(18(21)24-20(22)23-14)29-8-4-7-28-16-9-12(2)5-6-15(16)25-10-13(11-25)19(26)27/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3,(H,26,27)(H4,21,22,23,24)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}-4-methylphenyl)azetidine-3-carboxylic acid

HXV

HXV
Name:	6-ethyl-5-(4-{2-[2-(1H-tetrazol-5-yl)ethyl]phenoxy}butoxy)pyrimidine-2,4-diamine
Formula:	C19 H26 N8 O2
SMILES:	CCc1nc(N)nc(N)c1OCCCCOc1ccccc1CCc1nnn[NH]1
InChi:	InChI=1S/C19H26N8O2/c1-2-14-17(18(20)23-19(21)22-14)29-12-6-5-11-28-15-8-4-3-7-13(15)9-10-16-24-26-27-25-16/h3-4,7-8H,2,5-6,9-12H2,1H3,(H4,20,21,22,23)(H,24,25,26,27)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	6-ethyl-5-(4-{2-[2-(1H-tetrazol-5-yl)ethyl]phenoxy}butoxy)pyrimidine-2,4-diamine

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224931

數據於2024-09-11公開中

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