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726

726
Name:	6-azanyl-2-(methylamino)-4-[2-[(2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5,6-tetramethoxyoxan-2-yl]ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
Formula:	C21 H30 N6 O6
SMILES:	CNc1[nH]c2cc3C(=O)NC(=Nc3c(CC[CH]4O[CH](OC)[CH](OC)[CH](OC)[CH]4OC)c2n1)N
InChi:	InChI=1S/C21H30N6O6/c1-23-21-24-11-8-10-13(25-20(22)27-18(10)28)9(14(11)26-21)6-7-12-15(29-2)16(30-3)17(31-4)19(32-5)33-12/h8,12,15-17,19H,6-7H2,1-5H3,(H2,23,24,26)(H3,22,25,27,28)/t12-,15-,16+,17-,19+/m1/s1
Definition date:	2016-08-15
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	6-azanyl-2-(methylamino)-4-[2-[(2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5,6-tetramethoxyoxan-2-yl]ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

72C

72C
Name:	4-[2-[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-methoxy-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]-6-azanyl-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
Formula:	C20 H26 N6 O5
SMILES:	CNc1[nH]c2cc3C(=O)NC(=Nc3c(CC[CH]4O[CH](OC)[CH]5OC(C)(C)O[CH]45)c2n1)N
InChi:	InChI=1S/C20H26N6O5/c1-20(2)30-14-11(29-17(28-4)15(14)31-20)6-5-8-12-9(16(27)26-18(21)24-12)7-10-13(8)25-19(22-3)23-10/h7,11,14-15,17H,5-6H2,1-4H3,(H2,22,23,25)(H3,21,24,26,27)/t11-,14-,15-,17-/m1/s1
Definition date:	2016-08-15
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	4-[2-[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-methoxy-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]-6-azanyl-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

7NB

7NB
Name:	2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
Formula:	C30 H33 F N8 O2 S
SMILES:	CCc1nc2n(cc(cc2C)N3CCN(CC3)CC(=O)N4CC(O)C4)c1N(C)c5sc(C#N)c(n5)c6ccc(F)cc6
InChi:	InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3
Definition date:	2016-11-25
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

7Q1

7Q1
Name:	(5R)-5-phenyl-1,3-oxazolidine-2,4-dione
Formula:	C9 H7 N O3
SMILES:	c1ccc(cc1)C2OC(NC2=O)=O
InChi:	InChI=1S/C9H7NO3/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,11,12)/t7-/m1/s1
Definition date:	2016-11-29
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	(5R)-5-phenyl-1,3-oxazolidine-2,4-dione

7QS

7QS
Name:	(5R)-5-phenyl-1,3-thiazolidine-2,4-dione
Formula:	C9 H7 N O2 S
SMILES:	c1ccc(cc1)C2C(NC(=O)S2)=O
InChi:	InChI=1S/C9H7NO2S/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,11,12)/t7-/m1/s1
Definition date:	2016-11-30
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	(5R)-5-phenyl-1,3-thiazolidine-2,4-dione

7QV

7QV
Name:	(5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione
Formula:	C11 H11 N O5
SMILES:	c2c(C1C(NC(O1)=O)=O)c(cc(c2)OC)OC
InChi:	InChI=1S/C11H11NO5/c1-15-6-3-4-7(8(5-6)16-2)9-10(13)12-11(14)17-9/h3-5,9H,1-2H3,(H,12,13,14)/t9-/m1/s1
Definition date:	2016-11-30
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	(5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione

7QY

7QY
Name:	(5R)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
Formula:	C12 H13 N O4 S
SMILES:	c1cc(cc(c1CC2C(NC(S2)=O)=O)OC)OC
InChi:	InChI=1S/C12H13NO4S/c1-16-8-4-3-7(9(6-8)17-2)5-10-11(14)13-12(15)18-10/h3-4,6,10H,5H2,1-2H3,(H,13,14,15)/t10-/m1/s1
Definition date:	2016-11-30
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	(5R)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione

7R1

7R1
Name:	(5R)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:	C12 H13 N O3 S2
SMILES:	c1cc(cc(c1CC2C(NC(=S)S2)=O)OC)OC
InChi:	InChI=1S/C12H13NO3S2/c1-15-8-4-3-7(9(6-8)16-2)5-10-11(14)13-12(17)18-10/h3-4,6,10H,5H2,1-2H3,(H,13,14,17)/t10-/m1/s1
Definition date:	2016-11-30
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	(5R)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

7R4

7R4
Name:	(5R)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:	C10 H9 N O S2
SMILES:	c1ccc(cc1)CC2C(NC(=S)S2)=O
InChi:	InChI=1S/C10H9NOS2/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)/t8-/m1/s1
Definition date:	2016-11-30
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	(5R)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one

7R7

7R7
Name:	(5R)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one
Formula:	C11 H11 N O4 S
SMILES:	c2c(C1C(NC(O1)=S)=O)c(cc(c2)OC)OC
InChi:	InChI=1S/C11H11NO4S/c1-14-6-3-4-7(8(5-6)15-2)9-10(13)12-11(17)16-9/h3-5,9H,1-2H3,(H,12,13,17)/t9-/m1/s1
Definition date:	2016-11-30
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	(5R)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one

7SD

7SD
Name:	N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide
Formula:	C23 H25 N7 O
SMILES:	Cc1c(c(C)nc(c1)N)CNC(c4cnn(Cc3ccc(Cn2nccc2)cc3)c4)=O
InChi:	InChI=1S/C23H25N7O/c1-16-10-22(24)28-17(2)21(16)12-25-23(31)20-11-27-30(15-20)14-19-6-4-18(5-7-19)13-29-9-3-8-26-29/h3-11,15H,12-14H2,1-2H3,(H2,24,28)(H,25,31)
Definition date:	2016-12-03
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide

9AA

9AA
Name:	(5S)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one
Formula:	C12 H14 N2 O4 S
SMILES:	c1cc(cc(c1CC2(C(NC(=S)N2)=O)O)OC)OC
InChi:	InChI=1S/C12H14N2O4S/c1-17-8-4-3-7(9(5-8)18-2)6-12(16)10(15)13-11(19)14-12/h3-5,16H,6H2,1-2H3,(H2,13,14,15,19)/t12-/m0/s1
Definition date:	2017-04-13
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	(5S)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one

8M9

8M9
Name:	4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
Formula:	C14 H15 Cl N6 O
SMILES:	COc1c(C)cnc(Cn2ncc3c(Cl)nc(N)nc23)c1C
InChi:	InChI=1S/C14H15ClN6O/c1-7-4-17-10(8(2)11(7)22-3)6-21-13-9(5-18-21)12(15)19-14(16)20-13/h4-5H,6H2,1-3H3,(H2,16,19,20)
Definition date:	2017-08-04
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine

8MF

8MF
Name:	1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine
Formula:	C13 H9 Br Cl N5 O2
SMILES:	Nc1nc(Cl)c2cnn(Cc3cc4OCOc4cc3Br)c2n1
InChi:	InChI=1S/C13H9BrClN5O2/c14-8-2-10-9(21-5-22-10)1-6(8)4-20-12-7(3-17-20)11(15)18-13(16)19-12/h1-3H,4-5H2,(H2,16,18,19)
Definition date:	2017-08-04
Last modified:	2017-08-25
Release date:	2017-08-30
Identifier:	1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine

UUA

UUA
Name:	uridine uronic acid
Formula:	C9 H10 N2 O7
SMILES:	O[CH]1[CH](O)[CH](O[CH]1N2C=CC(=O)NC2=O)C(O)=O
InChi:	InChI=1S/C9H10N2O7/c12-3-1-2-11(9(17)10-3)7-5(14)4(13)6(18-7)8(15)16/h1-2,4-7,13-14H,(H,15,16)(H,10,12,17)/t4-,5+,6-,7+/m0/s1
Definition date:	2017-08-05
Last modified:	2017-08-18
Release date:	2017-08-23
Identifier:	(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolane-2-carboxylic acid

SXZ

SXZ
Name:	(2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-[(3-methylbutanoyl)amino]butanoic acid
Formula:	C19 H28 N6 O6 S
SMILES:	O=C(O)C(CCSCC1C(C(C(O1)n2c3c(nc2)c(ncn3)N)O)O)NC(=O)CC(C)C
InChi:	InChI=1S/C19H28N6O6S/c1-9(2)5-12(26)24-10(19(29)30)3-4-32-6-11-14(27)15(28)18(31-11)25-8-23-13-16(20)21-7-22-17(13)25/h7-11,14-15,18,27-28H,3-6H2,1-2H3,(H,24,26)(H,29,30)(H2,20,21,22)/t10-,11+,14+,15+,18+/m0/s1
Definition date:	2017-07-05
Last modified:	2017-08-18
Release date:	2017-08-23
Identifier:	(2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-[(3-methylbutanoyl)amino]butanoic acid (non-preferred name)

72K

72K
Name:	4-(3-methyl-4-quinolin-3-yl-indazol-1-yl)-2-[(4-oxidanylcyclohexyl)amino]benzamide
Formula:	C30 H29 N5 O2
SMILES:	Cc1nn(c2ccc(C(N)=O)c(N[CH]3CC[CH](O)CC3)c2)c4cccc(c5cnc6ccccc6c5)c14
InChi:	InChI=1S/C30H29N5O2/c1-18-29-24(20-15-19-5-2-3-7-26(19)32-17-20)6-4-8-28(29)35(34-18)22-11-14-25(30(31)37)27(16-22)33-21-9-12-23(36)13-10-21/h2-8,11,14-17,21,23,33,36H,9-10,12-13H2,1H3,(H2,31,37)/t21-,23-
Definition date:	2016-08-16
Last modified:	2017-08-18
Release date:	2017-08-23
Identifier:	4-(3-methyl-4-quinolin-3-yl-indazol-1-yl)-2-[(4-oxidanylcyclohexyl)amino]benzamide

72Y

72Y
Name:	4-chloranyl-7-[(4-chloranyl-3,5-dimethyl-pyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
Formula:	C14 H13 Cl2 N5
SMILES:	Cc1cnc(Cn2ccc3c(Cl)nc(N)nc23)c(C)c1Cl
InChi:	InChI=1S/C14H13Cl2N5/c1-7-5-18-10(8(2)11(7)15)6-21-4-3-9-12(16)19-14(17)20-13(9)21/h3-5H,6H2,1-2H3,(H2,17,19,20)
Definition date:	2016-08-18
Last modified:	2017-08-18
Release date:	2017-08-23
Identifier:	4-chloranyl-7-[(4-chloranyl-3,5-dimethyl-pyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine

73J

73J
Name:	~{N}-[(9~{R})-4-(5-fluoranyl-1~{H}-benzimidazol-2-yl)-9~{H}-fluoren-9-yl]-1~{H}-pyrrolo[2,3-b]pyridine-4-carboxamide
Formula:	C28 H18 F N5 O
SMILES:	Fc1ccc2[nH]c(nc2c1)c3cccc4[CH](NC(=O)c5ccnc6[nH]ccc56)c7ccccc7c34
InChi:	InChI=1S/C28H18FN5O/c29-15-8-9-22-23(14-15)33-27(32-22)21-7-3-6-20-24(21)16-4-1-2-5-17(16)25(20)34-28(35)19-11-13-31-26-18(19)10-12-30-26/h1-14,25H,(H,30,31)(H,32,33)(H,34,35)/t25-/m1/s1
Definition date:	2016-08-19
Last modified:	2017-08-18
Release date:	2017-08-23
Identifier:	~{N}-[(9~{R})-4-(5-fluoranyl-1~{H}-benzimidazol-2-yl)-9~{H}-fluoren-9-yl]-1~{H}-pyrrolo[2,3-b]pyridine-4-carboxamide

73S

73S
Name:	2-azanyl-5-chloranyl-~{N}-[(9~{R})-4-(1~{H}-imidazo[4,5-c]pyridin-2-yl)-9~{H}-fluoren-9-yl]pyrimidine-4-carboxamide
Formula:	C24 H16 Cl N7 O
SMILES:	Nc1ncc(Cl)c(n1)C(=O)N[CH]2c3ccccc3c4c2cccc4c5[nH]c6ccncc6n5
InChi:	InChI=1S/C24H16ClN7O/c25-16-10-28-24(26)32-21(16)23(33)31-20-13-5-2-1-4-12(13)19-14(20)6-3-7-15(19)22-29-17-8-9-27-11-18(17)30-22/h1-11,20H,(H,29,30)(H,31,33)(H2,26,28,32)/t20-/m1/s1
Definition date:	2016-08-19
Last modified:	2017-08-18
Release date:	2017-08-23
Identifier:	2-azanyl-5-chloranyl-~{N}-[(9~{R})-4-(1~{H}-imidazo[4,5-c]pyridin-2-yl)-9~{H}-fluoren-9-yl]pyrimidine-4-carboxamide

74E

74E
Name:	2-[(4-oxidanylcyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide
Formula:	C24 H31 N3 O3
SMILES:	Cc1cn(c2ccc(C(N)=O)c(N[CH]3CC[CH](O)CC3)c2)c4CC(C)(C)CC(=O)c14
InChi:	InChI=1S/C24H31N3O3/c1-14-13-27(20-11-24(2,3)12-21(29)22(14)20)16-6-9-18(23(25)30)19(10-16)26-15-4-7-17(28)8-5-15/h6,9-10,13,15,17,26,28H,4-5,7-8,11-12H2,1-3H3,(H2,25,30)/t15-,17-
Definition date:	2016-08-23
Last modified:	2017-08-18
Release date:	2017-08-23
Identifier:	2-[(4-oxidanylcyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide

7VA

7VA
Name:	(5S)-5-({4-[(6-methoxy-1-methyl-1H-benzimidazol-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
Formula:	C20 H19 N3 O4 S
SMILES:	c2c(CC1C(NC(S1)=O)=O)ccc(c2)OCc4nc3c(cc(cc3)OC)n4C
InChi:	InChI=1S/C20H19N3O4S/c1-23-16-10-14(26-2)7-8-15(16)21-18(23)11-27-13-5-3-12(4-6-13)9-17-19(24)22-20(25)28-17/h3-8,10,17H,9,11H2,1-2H3,(H,22,24,25)
Definition date:	2016-12-07
Last modified:	2017-08-18
Release date:	2017-08-23
Identifier:	(5S)-5-({4-[(6-methoxy-1-methyl-1H-benzimidazol-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione

9EJ

9EJ
Name:	N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methylcarbamoyl)azetidin-1-yl]-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide
Formula:	C28 H34 N8 O2 S
SMILES:	C(NC(c1cc(nc(c1)N2CCC2C(=O)NC)c3cnn4c3nc(cc4)c5cccs5)=O)C(N(CC)CC)C
InChi:	InChI=1S/C28H34N8O2S/c1-5-34(6-2)18(3)16-30-27(37)19-14-22(32-25(15-19)35-11-10-23(35)28(38)29-4)20-17-31-36-12-9-21(33-26(20)36)24-8-7-13-39-24/h7-9,12-15,17-18,23H,5-6,10-11,16H2,1-4H3,(H,29,38)(H,30,37)/t18-,23-/m0/s1
Definition date:	2017-04-27
Last modified:	2017-08-18
Release date:	2017-08-23
Identifier:	N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methylcarbamoyl)azetidin-1-yl]-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide

9GJ

9GJ
Name:	N-{(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide
Formula:	C19 H18 F4 N4 O5
SMILES:	n1cc(cc2NC(=O)CN(c12)C(NC(c3cc(c(cc3)OC(F)(F)F)F)COC)=O)OC
InChi:	InChI=1S/C19H18F4N4O5/c1-30-9-14(10-3-4-15(12(20)5-10)32-19(21,22)23)26-18(29)27-8-16(28)25-13-6-11(31-2)7-24-17(13)27/h3-7,14H,8-9H2,1-2H3,(H,25,28)(H,26,29)/t14-/m1/s1
Definition date:	2017-05-09
Last modified:	2017-08-18
Release date:	2017-08-23
Identifier:	N-{(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide

9HY

9HY
Name:	N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide
Formula:	C27 H24 N4 O5
SMILES:	CC(=O)N(C)c1c4ccc(C#N)cc4c(C)c(c1)Oc2c(cccc2)OCCN3C(NC(C=C3)=O)=O
InChi:	InChI=1S/C27H24N4O5/c1-17-21-14-19(16-28)8-9-20(21)22(30(3)18(2)32)15-25(17)36-24-7-5-4-6-23(24)35-13-12-31-11-10-26(33)29-27(31)34/h4-11,14-15H,12-13H2,1-3H3,(H,29,33,34)
Definition date:	2017-05-12
Last modified:	2017-08-18
Release date:	2017-08-23
Identifier:	N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide

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