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6K9

6K9
Name:	(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name)
Formula:	C40 H59 N O11
SMILES:	C31C9OC2C1OC5(C2)OC9C4C(O3)CCC(O4)CC(CC8C(CC7C(/C(CC(CCC6C(CC(CC5)O6)=C)O7)C)=C)OC(C8OC)CC(CN)O)=O
InChi:	InChI=1S/C40H59NO11/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,43H,2-3,5-18,41H2,1,4H3/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+/m1/s1
Definition date:	2016-04-21
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name)

4WN

4WN
Name:	2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
Formula:	C15 H20 N4
SMILES:	C2Cc1cccc(c1CN2CCc3nccn3C)N
InChi:	InChI=1S/C15H20N4/c1-18-10-7-17-15(18)6-9-19-8-5-12-3-2-4-14(16)13(12)11-19/h2-4,7,10H,5-6,8-9,11,16H2,1H3
Definition date:	2015-06-12
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-8-amine

4WT

4WT
Name:	4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
Formula:	C11 H15 N
SMILES:	C2NCc1ccccc1C2(C)C
InChi:	InChI=1S/C11H15N/c1-11(2)8-12-7-9-5-3-4-6-10(9)11/h3-6,12H,7-8H2,1-2H3
Definition date:	2015-06-15
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline

4WU

4WU
Name:	1,2,3,4-tetrahydroisoquinolin-8-amine
Formula:	C9 H12 N2
SMILES:	C1CNCc2c1cccc2N
InChi:	InChI=1S/C9H12N2/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6,10H2
Definition date:	2015-06-15
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	1,2,3,4-tetrahydroisoquinolin-8-amine

4X3

4X3
Name:	2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine
Formula:	C11 H16 N2
SMILES:	C1N(Cc2c(C1)c(N)ccc2)CC
InChi:	InChI=1S/C11H16N2/c1-2-13-7-6-10-9(8-13)4-3-5-11(10)12/h3-5H,2,6-8,12H2,1H3
Definition date:	2015-06-16
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine

4X6

4X6
Name:	2-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
Formula:	C10 H14 N2
SMILES:	C1N(Cc2c(C1)c(N)ccc2)C
InChi:	InChI=1S/C10H14N2/c1-12-6-5-9-8(7-12)3-2-4-10(9)11/h2-4H,5-7,11H2,1H3
Definition date:	2015-06-16
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	2-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine

4X8

4X8
Name:	2-[(4-amino-3-methylpyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
Formula:	C16 H20 N4
SMILES:	C1N(Cc2c(C1)cccc2N)Cc3c(c(ccn3)N)C
InChi:	InChI=1S/C16H20N4/c1-11-14(17)5-7-19-16(11)10-20-8-6-12-3-2-4-15(18)13(12)9-20/h2-5,7H,6,8-10,18H2,1H3,(H2,17,19)
Definition date:	2015-06-16
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	2-[(4-amino-3-methylpyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine

4XD

4XD
Name:	2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
Formula:	C12 H18 N2 O
SMILES:	C1N(Cc2c(C1)cccc2N)CCOC
InChi:	InChI=1S/C12H18N2O/c1-15-8-7-14-6-5-10-3-2-4-12(13)11(10)9-14/h2-4H,5-9,13H2,1H3
Definition date:	2015-06-16
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine

4XG

4XG
Name:	2-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
Formula:	C14 H23 N3
SMILES:	C1N(Cc2c(C1)cccc2N)CCCN(C)C
InChi:	InChI=1S/C14H23N3/c1-16(2)8-4-9-17-10-7-12-5-3-6-14(15)13(12)11-17/h3,5-6H,4,7-11,15H2,1-2H3
Definition date:	2015-06-17
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	2-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine

4XJ

4XJ
Name:	2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine
Formula:	C14 H22 N2 O2
SMILES:	COCC(N2CCc1cccc(c1C2)N)COC
InChi:	InChI=1S/C14H22N2O2/c1-17-9-12(10-18-2)16-7-6-11-4-3-5-14(15)13(11)8-16/h3-5,12H,6-10,15H2,1-2H3
Definition date:	2015-06-17
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine

4XK

4XK
Name:	2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-5-amine
Formula:	C17 H26 N2 O2
SMILES:	C1N(Cc2c(C1)c(N)ccc2)CCCOC3CCOCC3
InChi:	InChI=1S/C17H26N2O2/c18-17-4-1-3-14-13-19(9-5-16(14)17)8-2-10-21-15-6-11-20-12-7-15/h1,3-4,15H,2,5-13,18H2
Definition date:	2015-06-17
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-5-amine

4XL

4XL
Name:	2-[3-(morpholin-4-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
Formula:	C16 H25 N3 O
SMILES:	C1N(Cc2c(C1)cccc2N)CCCN3CCOCC3
InChi:	InChI=1S/C16H25N3O/c17-16-4-1-3-14-5-8-19(13-15(14)16)7-2-6-18-9-11-20-12-10-18/h1,3-4H,2,5-13,17H2
Definition date:	2015-06-17
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	2-[3-(morpholin-4-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine

4XM

4XM
Name:	2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
Formula:	C17 H26 N2 O2
SMILES:	C1N(Cc2c(C1)cccc2N)CCCOC3CCOCC3
InChi:	InChI=1S/C17H26N2O2/c18-17-4-1-3-14-5-9-19(13-16(14)17)8-2-10-21-15-6-11-20-12-7-15/h1,3-4,15H,2,5-13,18H2
Definition date:	2015-06-17
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine

6CD

6CD
Name:	2-(tert-butylamino)-3-methyl-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one
Formula:	C20 H23 N5 O2
SMILES:	CC1c4c(C(N1)=O)cc(c2cccc3C(=O)N(C)C(=Nc23)NC(C)(C)C)n4
InChi:	InChI=1S/C20H23N5O2/c1-10-15-13(17(26)21-10)9-14(22-15)11-7-6-8-12-16(11)23-19(24-20(2,3)4)25(5)18(12)27/h6-10,22H,1-5H3,(H,21,26)(H,23,24)/t10-/m1/s1
Definition date:	2016-03-10
Last modified:	2016-06-17
Release date:	2016-06-22
Identifier:	2-(tert-butylamino)-3-methyl-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one

4V1

4V1
Name:	2-(4-hydroxy-3,5-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Formula:	C18 H19 N3 O2 S
SMILES:	N=1c3c(C(NC=1c2cc(C)c(O)c(C)c2)=O)c4c(s3)CN(CC4)C
InChi:	InChI=1S/C18H19N3O2S/c1-9-6-11(7-10(2)15(9)22)16-19-17(23)14-12-4-5-21(3)8-13(12)24-18(14)20-16/h6-7,22H,4-5,8H2,1-3H3,(H,19,20,23)
Definition date:	2015-06-04
Last modified:	2016-06-17
Release date:	2016-06-22
Identifier:	2-(4-hydroxy-3,5-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

5EG

5EG
Name:	2-({5-[(2-chlorophenoxy)methyl]-1H-tetrazol-1-yl}acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide
Formula:	C17 H15 Cl2 N7 O3
SMILES:	C(=O)(Cn1nnnc1COc2ccccc2Cl)NNC(=O)Nc3ccc(cc3)Cl
InChi:	InChI=1S/C17H15Cl2N7O3/c18-11-5-7-12(8-6-11)20-17(28)23-22-16(27)9-26-15(21-24-25-26)10-29-14-4-2-1-3-13(14)19/h1-8H,9-10H2,(H,22,27)(H2,20,23,28)
Definition date:	2015-09-16
Last modified:	2016-06-10
Release date:	2016-06-15
Identifier:	2-({5-[(2-chlorophenoxy)methyl]-1H-tetrazol-1-yl}acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide

5EK

5EK
Name:	N-[1-(2-chlorophenyl)-1H-indol-6-yl]-2-{[5-(2-chlorophenyl)-1H-tetrazol-1-yl]acetyl}hydrazinecarboxamide
Formula:	C24 H18 Cl2 N8 O2
SMILES:	C(=O)(Cn2nnnc2c1ccccc1Cl)NNC(=O)Nc3cc4c(cc3)ccn4c5ccccc5Cl
InChi:	InChI=1S/C24H18Cl2N8O2/c25-18-6-2-1-5-17(18)23-29-31-32-34(23)14-22(35)28-30-24(36)27-16-10-9-15-11-12-33(21(15)13-16)20-8-4-3-7-19(20)26/h1-13H,14H2,(H,28,35)(H2,27,30,36)
Definition date:	2015-09-16
Last modified:	2016-06-10
Release date:	2016-06-15
Identifier:	N-[1-(2-chlorophenyl)-1H-indol-6-yl]-2-{[5-(2-chlorophenyl)-1H-tetrazol-1-yl]acetyl}hydrazinecarboxamide

6EW

6EW
Name:	N-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide
Formula:	C23 H27 F3 N2 O4 S
SMILES:	O=S(c1ccc(c(c1)C)C)(N(c2ccc3c(c2)OCC(C)(C)C(N3CC)=O)CC(F)(F)F)=O
InChi:	InChI=1S/C23H27F3N2O4S/c1-6-27-19-10-8-17(12-20(19)32-14-22(4,5)21(27)29)28(13-23(24,25)26)33(30,31)18-9-7-15(2)16(3)11-18/h7-12H,6,13-14H2,1-5H3
Definition date:	2016-03-24
Last modified:	2016-06-10
Release date:	2016-06-15
Identifier:	N-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide

6AJ

6AJ
Name:	2-({2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile
Formula:	C21 H21 F N8 O2
SMILES:	c1(c(ccc(c1)F)C#N)Cn4c3C(N2C(N(C(=O)C2)C)=Nc3nc4N5CC(CCC5)N)=O
InChi:	InChI=1S/C21H21FN8O2/c1-27-16(31)11-30-19(32)17-18(25-20(27)30)26-21(28-6-2-3-15(24)10-28)29(17)9-13-7-14(22)5-4-12(13)8-23/h4-5,7,15H,2-3,6,9-11,24H2,1H3/t15-/m1/s1
Definition date:	2016-02-26
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	2-({2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile

2H4

2H4
Name:	(1S)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Formula:	C16 H17 N O4
SMILES:	Oc1ccc(cc1O)CC3c2c(cc(O)c(O)c2)CCN3
InChi:	InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/t12-/m0/s1
Definition date:	2014-03-27
Last modified:	2016-06-03
Release date:	2016-06-08
Identifier:	(1S)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol

RUH

RUH
Name:	(ethane6-5,8,9,10-tetrahydroanthracene)Ru(II)(ethylene-diamine)Cl
Formula:	C16 H22 Cl N2 Ru
SMILES:	[Ru]493215(C=68C1=C2C3=C4C5=6CC=7CC=CCC=7C8)(NCCN9)Cl
InChi:	InChI=1S/C14H10.C2H6N2.ClH.Ru/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1
Definition date:	2015-07-29
Last modified:	2016-05-27
Release date:	2016-06-01
Identifier:	chloro(ethane-1,2-diylbisazanido-kappaN)[(1,2,3,4,4a,9a-eta)-5,8,9,10-tetrahydroanthracene-1,2,3,4-tetrayl]ruthenium

YWZ

YWZ
Name:	4'-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)oxy][1,1'-biphenyl]-4-yl sulfurofluoridate
Formula:	C23 H27 F O8 S
SMILES:	O=S(=O)(Oc1ccc(cc1)c2ccc(OCCOCCOCCOCCOCC#C)cc2)F
InChi:	InChI=1S/C23H27FO8S/c1-2-11-27-12-13-28-14-15-29-16-17-30-18-19-31-22-7-3-20(4-8-22)21-5-9-23(10-6-21)32-33(24,25)26/h1,3-10H,11-19H2
Definition date:	2016-02-11
Last modified:	2016-05-27
Release date:	2016-06-01
Identifier:	4'-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)oxy][1,1'-biphenyl]-4-yl sulfurofluoridate

YLG

YLG
Name:	(1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline
Formula:	C10 H13 N
SMILES:	C[CH]1NCCc2ccccc12
InChi:	InChI=1S/C10H13N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-5,8,11H,6-7H2,1H3/t8-/m1/s1
Definition date:	2015-07-22
Last modified:	2016-05-27
Release date:	2016-06-01
Identifier:	(1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline

5GV

5GV
Name:	(2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
Formula:	C11 H12 N2 O3
SMILES:	O=C1C(Nc2c(N1)cc(cc2)C(O)=O)CC
InChi:	InChI=1S/C11H12N2O3/c1-2-7-10(14)13-9-5-6(11(15)16)3-4-8(9)12-7/h3-5,7,12H,2H2,1H3,(H,13,14)(H,15,16)/t7-/m1/s1
Definition date:	2015-09-24
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	(2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid

5JQ

5JQ
Name:	2-thioxo-2,3,7,9-tetrahydro-1H-purine-6,8-dione
Formula:	C5 H4 N4 O2 S
SMILES:	C2=1NC(NC=1C(NC(N2)=S)=O)=O
InChi:	InChI=1S/C5H4N4O2S/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
Definition date:	2015-10-03
Last modified:	2016-05-20
Release date:	2016-05-25
Identifier:	2-thioxo-2,3,7,9-tetrahydro-1H-purine-6,8-dione

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