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RU8

RU8
Name:	bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[2-iodo-N-(1,10-phenanthrolin-5-yl-kappa~2~N~1~,N~10~)acetamide]ruthenium(2+)
Formula:	C34 H26 I N7 O Ru
SMILES:	ICC(=O)Nc1cc7c6c2c1cccn2[Ru+2]%105(n3ccccc3c4ccccn45)(n6ccc7)n8ccccc8c9ccccn9%10
InChi:	InChI=1S/C14H10IN3O.2C10H8N2.Ru/c15-8-12(19)18-11-7-9-3-1-5-16-13(9)14-10(11)4-2-6-17-14
Definition date:	2010-07-20
Last modified:	2024-09-27
Identifier:	bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[2-iodo-N-(1,10-phenanthrolin-5-yl-kappa~2~N~1~,N~10~)acetamide]ruthenium(2+)

30S

30S
Name:	2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
Formula:	C15 H14 N4 O4 S
SMILES:	O=S(=O)(O)c1ccccc1COc3c2c(nc(nc2N)N)ccc3
InChi:	InChI=1S/C15H14N4O4S/c16-14-13-10(18-15(17)19-14)5-3-6-11(13)23-8-9-4-1-2-7-12(9)24(20,21)22/h1-7H,8H2,(H,20,21,22)(H4,16,17,18,19)
Definition date:	2014-05-14
Last modified:	2024-09-27
Release date:	2015-05-13
Identifier:	2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid

RUA

RUA
Name:	(4'-METHYL-2,2'BIPYRIDINE)BIS(2,2'-BIPYRIDINE)
Formula:	C32 H56 N6 Ru
SMILES:	N92C(C1N(CCC(C1)C)[Ru]258(N3CCCCC3C4N5CCCC4)N6CCCCC6C7N8CCCC7)CC(=CC9)C
InChi:	InChI=1S/C12H20N2.2C10H18N2.Ru/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12
Definition date:	2005-05-26
Last modified:	2024-09-27
Identifier:	[(2R,2'R)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][(2R,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][(2S)-4-methyl-2-[(2S,4S)-4-methylpiperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium

30U

30U
Name:	4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
Formula:	C15 H14 N4 O4 S
SMILES:	O=S(=O)(O)c1ccc(cc1)COc3c2c(nc(nc2N)N)ccc3
InChi:	InChI=1S/C15H14N4O4S/c16-14-13-11(18-15(17)19-14)2-1-3-12(13)23-8-9-4-6-10(7-5-9)24(20,21)22/h1-7H,8H2,(H,20,21,22)(H4,16,17,18,19)
Definition date:	2014-05-15
Last modified:	2024-09-27
Release date:	2015-05-20
Identifier:	4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid

30V

30V
Name:	S-[(2-carbamoylphenyl)selanyl]-L-cysteine
Formula:	C10 H12 N2 O3 S Se
SMILES:	O=C(O)C(N)CS[Se]c1ccccc1C(=O)N
InChi:	InChI=1S/C10H12N2O3SSe/c11-7(10(14)15)5-16-17-8-4-2-1-3-6(8)9(12)13/h1-4,7H,5,11H2,(H2,12,13)(H,14,15)/t7-/m0/s1
Definition date:	2014-05-15
Last modified:	2024-09-27
Release date:	2014-07-08
Identifier:	S-[(2-carbamoylphenyl)selanyl]-L-cysteine

30W

30W
Name:	N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide
Formula:	C9 H7 N5 O3
SMILES:	O=C(NC2=Nc1ncc(nc1C(=O)N2)C=O)C
InChi:	InChI=1S/C9H7N5O3/c1-4(16)11-9-13-7-6(8(17)14-9)12-5(3-15)2-10-7/h2-3H,1H3,(H2,10,11,13,14,16,17)
Synonyms:	Acetyl 6-formylpterin
Definition date:	2014-05-16
Last modified:	2024-09-27
Release date:	2014-07-02
Identifier:	N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide

31G

31G
Name:	3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
Formula:	C15 H14 N4 O4 S
SMILES:	O=S(=O)(O)c1cccc(c1)COc3c2c(nc(nc2N)N)ccc3
InChi:	InChI=1S/C15H14N4O4S/c16-14-13-11(18-15(17)19-14)5-2-6-12(13)23-8-9-3-1-4-10(7-9)24(20,21)22/h1-7H,8H2,(H,20,21,22)(H4,16,17,18,19)
Definition date:	2014-05-16
Last modified:	2024-09-27
Release date:	2015-05-20
Identifier:	3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid

31J

31J
Name:	7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one
Formula:	C17 H22 O6
SMILES:	O=C2Oc1c(c(O)c(OC)cc1C(=C2CCOCCOC)C)C
InChi:	InChI=1S/C17H22O6/c1-10-12(5-6-22-8-7-20-3)17(19)23-16-11(2)15(18)14(21-4)9-13(10)16/h9,18H,5-8H2,1-4H3
Definition date:	2014-05-19
Last modified:	2024-09-27
Release date:	2014-09-03
Identifier:	7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one

31K

31K
Name:	2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol
Formula:	C17 H19 N O3
SMILES:	Oc3c(cc(c2ccc1c(OCCN1C)c2)cc3OC)C
InChi:	InChI=1S/C17H19NO3/c1-11-8-13(10-16(20-3)17(11)19)12-4-5-14-15(9-12)21-7-6-18(14)2/h4-5,8-10,19H,6-7H2,1-3H3
Definition date:	2014-05-19
Last modified:	2024-09-27
Release date:	2014-09-03
Identifier:	2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol

31L

31L
Name:	3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol
Formula:	C18 H21 N O3
SMILES:	Oc1c(cc(cc1OC)c3ccc(N2CCOCC2)cc3)C
InChi:	InChI=1S/C18H21NO3/c1-13-11-15(12-17(21-2)18(13)20)14-3-5-16(6-4-14)19-7-9-22-10-8-19/h3-6,11-12,20H,7-10H2,1-2H3
Definition date:	2014-05-19
Last modified:	2024-09-27
Release date:	2014-09-03
Identifier:	3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol

31Q

31Q
Name:	(4-carboxyphenyl)(L-cysteinato-kappaS~3~)mercury
Formula:	C10 H11 Hg N O4 S
SMILES:	O=C(O)C(N)CS[Hg]c1ccc(C(=O)O)cc1
InChi:	InChI=1S/C7H5O2.C3H7NO2S.Hg/c8-7(9)6-4-2-1-3-5-6
Definition date:	2014-05-22
Last modified:	2024-09-27
Release date:	2014-07-08
Identifier:	(4-carboxyphenyl)(L-cysteinato-kappaS~3~)mercury

RVJ

RVJ
Name:	3-triazan-1-yl-L-alanine
Formula:	C3 H10 N4 O2
SMILES:	NC(CNNN)C(=O)O
InChi:	InChI=1S/C3H10N4O2/c4-2(3(8)9)1-6-7-5/h2,6-7H,1,4-5H2,(H,8,9)/t2-/m0/s1
Definition date:	2020-02-26
Last modified:	2024-09-27
Release date:	2020-07-01
Identifier:	3-triazan-1-yl-L-alanine

323

323
Name:	2-[3,6-bis(dimethylamino)xanthen-9-yl]-5-methanoyl-benzoate
Formula:	C25 H22 N2 O4
SMILES:	[O-]C(=O)c4cc(C=O)ccc4C=1c3c(OC=2C=1C=C/C(=[N+](/C)C)C=2)cc(cc3)N(C)C
InChi:	InChI=1S/C25H22N2O4/c1-26(2)16-6-9-19-22(12-16)31-23-13-17(27(3)4)7-10-20(23)24(19)18-8-5-15(14-28)11-21(18)25(29)30/h5-14H,1-4H3
Synonyms:	5-Carboxy-N,N'-tetramethyl rhodamine
Definition date:	2008-06-30
Last modified:	2024-09-27
Identifier:	2-[6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl]-5-formylbenzoate

RVW

RVW
Name:	(2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol
Formula:	C6 H12 O5 S
SMILES:	OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6-/m0/s1
Synonyms:	thioglucose
Definition date:	2020-10-25
Last modified:	2024-09-27
Release date:	2020-12-02
Identifier:	(2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol

RVX

RVX
Name:	O-[methyl(2-methylpropoxy)phosphoryl]-L-serine
Formula:	C8 H18 N O5 P
SMILES:	O=C(O)C(N)COP(=O)(OCC(C)C)C
InChi:	InChI=1S/C8H18NO5P/c1-6(2)4-13-15(3,12)14-5-7(9)8(10)11/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t7-,15+/m0/s1
Definition date:	2013-02-04
Last modified:	2024-09-27
Release date:	2013-03-27
Identifier:	O-[(R)-methyl(2-methylpropoxy)phosphoryl]-L-serine

7G8

7G8
Name:	4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide
Formula:	C26 H24 F N7 O3
SMILES:	CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(c4)C(=O)NC)cc3)ncc2F)c1
InChi:	InChI=1S/C26H24FN7O3/c1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2/h4-15H,3H2,1-2H3,(H,28,36)(H,31,35)(H2,30,32,33,34)
Definition date:	2016-10-19
Last modified:	2024-09-27
Release date:	2017-05-24
Identifier:	4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide

RW1

RW1
Name:	4-phenylpyrimidine
Formula:	C10 H8 N2
SMILES:	n1ccc(nc1)c2ccccc2
InChi:	InChI=1S/C10H8N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8H
Synonyms:	6-phenylpyrimidine
Definition date:	2007-11-30
Last modified:	2024-09-27
Identifier:	4-phenylpyrimidine

7G9

7G9
Name:	~{N}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide
Formula:	C22 H24 F N5 O3
SMILES:	CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1
InChi:	InChI=1S/C22H24FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h4-10,13-14H,3,11-12H2,1-2H3,(H,25,29)(H2,24,26,27,28)
Definition date:	2016-10-19
Last modified:	2024-09-27
Release date:	2017-05-24
Identifier:	~{N}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide

7GA

7GA
Name:	2,4-DIMETHYLPENTANAL
Formula:	C7 H14 O2
SMILES:	CC(C)C[CH](C)C(O)=O
InChi:	InChI=1S/C7H14O2/c1-5(2)4-6(3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)/t6-/m0/s1
Definition date:	2015-07-30
Last modified:	2024-09-27
Release date:	2015-09-30
Identifier:	(2S)-2,4-dimethylpentanoic acid

7GB

7GB
Name:	6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one
Formula:	C25 H24 N6 O3
SMILES:	CC=CC(=O)N1CC[CH](C1)N2C(=O)N(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25
InChi:	InChI=1S/C25H24N6O3/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19/h2-12,16,18H,13-15H2,1H3,(H2,26,27,28)/b6-2+/t18-/m1/s1
Definition date:	2016-10-19
Last modified:	2024-09-27
Release date:	2017-05-24
Identifier:	6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one

RW8

RW8
Name:	methyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
Formula:	C13 H15 N O3
SMILES:	COC(=O)CCC(=O)N1CCc2ccccc12
InChi:	InChI=1S/C13H15NO3/c1-17-13(16)7-6-12(15)14-9-8-10-4-2-3-5-11(10)14/h2-5H,6-9H2,1H3
Definition date:	2020-10-27
Last modified:	2024-09-27
Release date:	2021-08-04
Identifier:	methyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate

RWJ

RWJ
Name:	CYCLOPENTANECARBOXYLIC ACID [1-(BENZOTHIAZOLE-2-CARBONYL)-4-GUANIDINO-BUTYL]-AMIDE
Formula:	C19 H25 N5 O2 S
SMILES:	O=C(NC(C(=O)c1nc2ccccc2s1)CCCNC(=[N@H])N)C3CCCC3
InChi:	InChI=1S/C19H25N5O2S/c20-19(21)22-11-5-9-14(23-17(26)12-6-1-2-7-12)16(25)18-24-13-8-3-4-10-15(13)27-18/h3-4,8,10,12,14H,1-2,5-7,9,11H2,(H,23,26)(H4,20,21,22)/t14-/m0/s1
Synonyms:	RWJ-51084
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-[(1S)-1-(1,3-benzothiazol-2-ylcarbonyl)-4-carbamimidamidobutyl]cyclopentanecarboxamide

7H4

7H4
Name:	1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one
Formula:	C15 H21 N5 O
SMILES:	n3c2c(c(NC1CCC(C)N(C(=O)CC)C1)ncn2)cc3
InChi:	InChI=1S/C15H21N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h6-7,9-11H,3-5,8H2,1-2H3,(H2,16,17,18,19)/t10-,11+/m0/s1
Definition date:	2016-10-25
Last modified:	2024-09-27
Release date:	2016-11-09
Identifier:	1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one

RX9

RX9
Name:	Dehydroisoleucine
Formula:	C6 H11 N O2
SMILES:	CCC(C)=C(N)C(O)=O
InChi:	InChI=1S/C6H11NO2/c1-3-4(2)5(7)6(8)9/h3,7H2,1-2H3,(H,8,9)/b5-4+
Synonyms:	(E)-2-azanyl-3-methyl-pent-2-enoic acid
Definition date:	2022-12-09
Last modified:	2024-09-27
Release date:	2023-01-18
Identifier:	(~{E})-2-azanyl-3-methyl-pent-2-enoic acid

7HS

7HS
Name:	(S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide
Formula:	C14 H28 N6 O3
SMILES:	CC(=O)N[CH](CCCCN)C(=O)N[CH](CCCNC(N)=N)C=O
InChi:	InChI=1S/C14H28N6O3/c1-10(22)19-12(6-2-3-7-15)13(23)20-11(9-21)5-4-8-18-14(16)17/h9,11-12H,2-8,15H2,1H3,(H,19,22)(H,20,23)(H4,16,17,18)/t11-,12-/m0/s1
Definition date:	2016-12-05
Last modified:	2024-09-27
Release date:	2017-06-14
Identifier:	(2~{S})-2-acetamido-6-azanyl-~{N}-[(2~{S})-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]hexanamide

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