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NV1

NV1
Name:	2-azanyl-~{N}-(2,6-dimethylphenyl)-~{N}-propan-2-yl-ethanamide
Formula:	C13 H20 N2 O
SMILES:	CC(C)N(C(=O)CN)c1c(C)cccc1C
InChi:	InChI=1S/C13H20N2O/c1-9(2)15(12(16)8-14)13-10(3)6-5-7-11(13)4/h5-7,9H,8,14H2,1-4H3
Definition date:	2017-02-15
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	2-azanyl-~{N}-(2,6-dimethylphenyl)-~{N}-propan-2-yl-ethanamide

Q9P

Q9P
Name:	Azolopyrimidine
Formula:	C12 H9 Cl N4 O
SMILES:	Oc1n2ncnc2nc(Cl)c1Cc3ccccc3
InChi:	InChI=1S/C12H9ClN4O/c13-10-9(6-8-4-2-1-3-5-8)11(18)17-12(16-10)14-7-15-17/h1-5,7,18H,6H2
Definition date:	2016-12-24
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	5-chloranyl-6-(phenylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol

Q9T

Q9T
Name:	2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
Formula:	C10 H4 Br2 F3 N O2
SMILES:	Oc1c(Br)cc(Br)cc1c2onc(c2)C(F)(F)F
InChi:	InChI=1S/C10H4Br2F3NO2/c11-4-1-5(9(17)6(12)2-4)7-3-8(16-18-7)10(13,14)15/h1-3,17H
Definition date:	2016-12-25
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol

PJL

PJL
Name:	(3~{E})-3-[(~{E})-3-oxidanylprop-2-enoyl]iminopropanoic acid
Formula:	C6 H7 N O4
SMILES:	OC=CC(=O)N=CCC(O)=O
InChi:	InChI=1S/C6H7NO4/c8-4-2-5(9)7-3-1-6(10)11/h2-4,8H,1H2,(H,10,11)/b4-2+,7-3+
Definition date:	2017-05-30
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	(3~{E})-3-[(~{E})-3-oxidanylprop-2-enoyl]iminopropanoic acid

7GE

7GE
Name:	pentakis(chloranyl)-(1~{H}-indazol-2-ium-2-yl)ruthenium(1-)
Formula:	C7 H6 Cl5 N2 Ru
SMILES:	Cl[Ru-](Cl)(Cl)(Cl)(Cl)[n+]1[nH]c2ccccc2c1
InChi:	InChI=1S/C7H6N2.5ClH.Ru/c1-2-4-7-6(3-1)5-8-9-7
Definition date:	2016-10-12
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	pentakis(chloranyl)-(1~{H}-indazol-2-ium-2-yl)ruthenium(1-)

9XJ

9XJ
Name:	3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C17 H19 Cl N6 O
SMILES:	C1C(CCNC1)Cn2nc(c3c2ncnc3N)Oc4cccc(c4)Cl
InChi:	InChI=1S/C17H19ClN6O/c18-12-2-1-3-13(8-12)25-17-14-15(19)21-10-22-16(14)24(23-17)9-11-4-6-20-7-5-11/h1-3,8,10-11,20H,4-7,9H2,(H2,19,21,22)
Definition date:	2017-06-22
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

9XV

9XV
Name:	1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C16 H18 Cl N5
SMILES:	c1(ncnc2c1c(nn2C(C)(C)C)Cc3cc(Cl)ccc3)N
InChi:	InChI=1S/C16H18ClN5/c1-16(2,3)22-15-13(14(18)19-9-20-15)12(21-22)8-10-5-4-6-11(17)7-10/h4-7,9H,8H2,1-3H3,(H2,18,19,20)
Definition date:	2017-06-23
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

9ZY

9ZY
Name:	2-chloro-5-(4-methyl-6-oxo-3-phenylpyrano[2,3-c]pyrazol-1(6H)-yl)benzoic acid
Formula:	C20 H13 Cl N2 O4
SMILES:	O=C(c4cc(n3c1OC(C=C(c1c(c2ccccc2)n3)C)=O)ccc4Cl)O
InChi:	InChI=1S/C20H13ClN2O4/c1-11-9-16(24)27-19-17(11)18(12-5-3-2-4-6-12)22-23(19)13-7-8-15(21)14(10-13)20(25)26/h2-10H,1H3,(H,25,26)
Definition date:	2017-06-30
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	2-chloro-5-(4-methyl-6-oxo-3-phenylpyrano[2,3-c]pyrazol-1(6H)-yl)benzoic acid

6WC

6WC
Name:	[2-[(6-oxidanylidene-1~{H}-purin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid
Formula:	C11 H18 N4 O9 P2
SMILES:	O[P](O)(=O)COCC(COC[P](O)(O)=O)Cn1cnc2C(=O)NC=Nc12
InChi:	InChI=1S/C11H18N4O9P2/c16-11-9-10(12-4-13-11)15(5-14-9)1-8(2-23-6-25(17,18)19)3-24-7-26(20,21)22/h4-5,8H,1-3,6-7H2,(H,12,13,16)(H2,17,18,19)(H2,20,21,22)
Definition date:	2016-07-08
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	[2-[(6-oxidanylidene-1~{H}-purin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid

9KH

9KH
Name:	6-carboxy methyl-4-hydroxy-2-pyridinol
Formula:	C8 H9 N O4
SMILES:	Cc1c(O)cc(O)nc1CC(O)=O
InChi:	InChI=1S/C8H9NO4/c1-4-5(2-8(12)13)9-7(11)3-6(4)10/h3H,2H2,1H3,(H,12,13)(H2,9,10,11)
Definition date:	2017-05-30
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	2-[3-methyl-4,6-bis(oxidanyl)pyridin-2-yl]ethanoic acid

8XT

8XT
Name:	~{N}-ethyl-4-[(3~{S})-3-methylmorpholin-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide
Formula:	C15 H20 N4 O2
SMILES:	CCNC(=O)c1[nH]c2nccc(N3CCOC[CH]3C)c2c1
InChi:	InChI=1S/C15H20N4O2/c1-3-16-15(20)12-8-11-13(4-5-17-14(11)18-12)19-6-7-21-9-10(19)2/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,20)(H,17,18)/t10-/m0/s1
Definition date:	2017-03-22
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	~{N}-ethyl-4-[(3~{S})-3-methylmorpholin-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide

6S3

6S3
Name:	4-chloranyl-1-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridine-6-carboxamide
Formula:	C20 H22 Cl N5 O
SMILES:	CN1CCN(CC1)c2ccc(cc2)c3cc4c(Cl)cc(nc4n3C)C(N)=O
InChi:	InChI=1S/C20H22ClN5O/c1-24-7-9-26(10-8-24)14-5-3-13(4-6-14)18-11-15-16(21)12-17(19(22)27)23-20(15)25(18)2/h3-6,11-12H,7-10H2,1-2H3,(H2,22,27)
Definition date:	2016-06-09
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	4-chloranyl-1-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridine-6-carboxamide

8LP

8LP
Name:	6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1H,3H)-dione
Formula:	C27 H23 N3 O3
SMILES:	N5C=2C(=CN(Cc1ccccc1)C(C=2)=O)CN(c3cccc(c3)OCc4ccccc4)C5=O
InChi:	InChI=1S/C27H23N3O3/c31-26-15-25-22(17-29(26)16-20-8-3-1-4-9-20)18-30(27(32)28-25)23-12-7-13-24(14-23)33-19-21-10-5-2-6-11-21/h1-15,17H,16,18-19H2,(H,28,32)
Definition date:	2017-02-15
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1H,3H)-dione

8LS

8LS
Name:	6-benzyl-3-[(2R)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2H-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3H,8H)-dione
Formula:	C29 H25 F N4 O3
SMILES:	c51CCC(Oc1cc(N4CC3=CN(Cc2ccccc2)C(CC3=NC4=O)=O)c(C)c5)c6c(cccn6)F
InChi:	InChI=1S/C29H25FN4O3/c1-18-12-20-9-10-25(28-22(30)8-5-11-31-28)37-26(20)14-24(18)34-17-21-16-33(15-19-6-3-2-4-7-19)27(35)13-23(21)32-29(34)36/h2-8,11-12,14,16,25H,9-10,13,15,17H2,1H3/t25-/m1/s1
Definition date:	2017-02-15
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	6-benzyl-3-[(2R)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2H-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3H,8H)-dione

8LV

8LV
Name:	3-(5-{[(2R)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid
Formula:	C23 H24 N4 O4 S
SMILES:	c1(C(O)=O)cccc(c1)c5oc(CC=3C(N=C4SC(C2CCCCC2)NN4C=3N)=O)cc5
InChi:	InChI=1S/C23H24N4O4S/c24-19-17(12-16-9-10-18(31-16)14-7-4-8-15(11-14)22(29)30)20(28)25-23-27(19)26-21(32-23)13-5-2-1-3-6-13/h4,7-11,13,21,26H,1-3,5-6,12,24H2,(H,29,30)/t21-/m1/s1
Definition date:	2017-02-15
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	3-(5-{[(2R)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid

8OB

8OB
Name:	4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol
Formula:	C11 H7 Cl2 N O2
SMILES:	Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChi:	InChI=1S/C11H7Cl2NO2/c12-7-5-10(13)11(14-6-7)16-9-3-1-8(15)2-4-9/h1-6,15H
Definition date:	2017-02-14
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol

8OE

8OE
Name:	4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline
Formula:	C11 H8 Cl2 N2 O
SMILES:	Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChi:	InChI=1S/C11H8Cl2N2O/c12-7-5-10(13)11(15-6-7)16-9-3-1-8(14)2-4-9/h1-6H,14H2
Definition date:	2017-02-14
Last modified:	2017-07-14
Release date:	2017-07-19
Identifier:	4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline

DCZ

DCZ
Name:	2'-DEOXYCYTIDINE
Formula:	C9 H13 N3 O4
SMILES:	O=C1N=C(N)C=CN1C2OC(C(O)C2)CO
InChi:	InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
Definition date:	2001-05-30
Last modified:	2017-07-13
Identifier:	2'-deoxycytidine

L60

L60
Name:	1,3-diazinan-2-one
Formula:	C4 H8 N2 O
SMILES:	O=C1NCCCN1
InChi:	InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)
Definition date:	2017-04-13
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	1,3-diazinan-2-one

JIF

JIF
Name:	3,4,5-tris(fluoranyl)phenol
Formula:	C6 H3 F3 O
SMILES:	Oc1cc(F)c(F)c(F)c1
InChi:	InChI=1S/C6H3F3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
Definition date:	2016-10-31
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	3,4,5-tris(fluoranyl)phenol

L89

L89
Name:	pyridine-3,4-diamine
Formula:	C5 H7 N3
SMILES:	Nc1ccncc1N
InChi:	InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)
Definition date:	2017-04-13
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	pyridine-3,4-diamine

Y8I

Y8I
Name:	2,4-bis(bromanyl)phenol
Formula:	C6 H4 Br2 O
SMILES:	Oc1ccc(Br)cc1Br
InChi:	InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
Definition date:	2016-10-31
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	2,4-bis(bromanyl)phenol

ZTN

ZTN
Name:	2,3-bis(fluoranyl)phenol
Formula:	C6 H4 F2 O
SMILES:	Oc1cccc(F)c1F
InChi:	InChI=1S/C6H4F2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
Definition date:	2016-10-31
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	2,3-bis(fluoranyl)phenol

L97

L97
Name:	2-chloranylpyridin-3-amine
Formula:	C5 H5 Cl N2
SMILES:	Nc1cccnc1Cl
InChi:	InChI=1S/C5H5ClN2/c6-5-4(7)2-1-3-8-5/h1-3H,7H2
Definition date:	2017-04-13
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	2-chloranylpyridin-3-amine

L99

L99
Name:	3,4-bis(azanyl)benzohydrazide
Formula:	C7 H10 N4 O
SMILES:	NNC(=O)c1ccc(N)c(N)c1
InChi:	InChI=1S/C7H10N4O/c8-5-2-1-4(3-6(5)9)7(12)11-10/h1-3H,8-10H2,(H,11,12)
Definition date:	2017-04-13
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	3,4-bis(azanyl)benzohydrazide

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