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PDB Info pages Status search Chemie search: 44311 results BIRD

SNT

SNT
Name:	(E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine
Formula:	C23 H27 N5
SMILES:	N(=C/c1c(n(nc1C)c2ccccc2)C)N3CCN(CC3)Cc4ccccc4
InChi:	InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3/b24-17+
Synonyms:	SANT-1
Definition date:	2013-10-18
Last modified:	2020-06-17
Release date:	2014-01-22
Identifier:	(E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine

AVV

AVV
Name:	[(2R,3S,4R,5R)-5-(6-amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
Formula:	C15 H22 F N5 O13 P2
SMILES:	O=P(OCC1OCC(O)C1O)(O)OP(=O)(O)OCC4OC(n3cnc2c(nc(F)nc23)N)C(O)C4O
InChi:	InChI=1S/C15H22FN5O13P2/c16-15-19-12(17)8-13(20-15)21(4-18-8)14-11(25)10(24)7(33-14)3-32-36(28,29)34-35(26,27)31-2-6-9(23)5(22)1-30-6/h4-7,9-11,14,22-25H,1-3H2,(H,26,27)(H,28,29)(H2,17,19,20)/t5-,6+,7+,9-,10+,11+,14+/m0/s1
Synonyms:	2-fluoro-adenosine diphosphate ribose, 2F-ADPRI
Definition date:	2009-07-14
Last modified:	2020-06-17
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

THD

THD
Name:	2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE
Formula:	C14 H22 N4 O9 P2 S
SMILES:	O=P(O)(O)OP(=O)(O)OCCC=1SC(=C(O)CO)N(C=1C)Cc2cnc(nc2N)C
InChi:	InChI=1S/C14H22N4O9P2S/c1-8-12(3-4-26-29(24,25)27-28(21,22)23)30-14(11(20)7-19)18(8)6-10-5-16-9(2)17-13(10)15/h5,19-20H,3-4,6-7H2,1-2H3,(H,24,25)(H2,15,16,17)(H2,21,22,23)/b14-11+
Synonyms:	({ALPHA,BETA}-DIHYDROXYETHYL)-THIAMIN DIPHOSPHATE
Definition date:	2001-11-09
Last modified:	2020-06-17
Identifier:	2-[(2E)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,2-dihydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyl trihydrogen diphosphate

PFU

PFU
Name:	(1S)-1,4-anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-O-phosphono-D-ribitol
Formula:	C9 H14 N3 O9 P
SMILES:	O=C(N)c1c(O)c(nn1)C2OC(COP(=O)(O)O)C(O)C2O
InChi:	InChI=1S/C9H14N3O9P/c10-9(16)4-6(14)3(11-12-4)8-7(15)5(13)2(21-8)1-20-22(17,18)19/h2,5,7-8,13-15H,1H2,(H2,10,16)(H,11,12)(H2,17,18,19)/t2-,5-,7-,8+/m1/s1
Synonyms:	Pyrazofurin Monophosphate
Definition date:	2010-04-13
Last modified:	2020-06-17
Identifier:	(1S)-1,4-anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-O-phosphono-D-ribitol

NDN

NDN
Name:	2'-DEOXY-5-NITROURIDINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:	C9 H12 N3 O10 P
SMILES:	[O-][N+](=O)C=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C9H12N3O10P/c13-5-1-7(22-6(5)3-21-23(18,19)20)11-2-4(12(16)17)8(14)10-9(11)15/h2,5-7,13H,1,3H2,(H,10,14,15)(H2,18,19,20)/t5-,6+,7+/m0/s1
Synonyms:	[(2R,3S,5R)-3-HYDROXY-5-(5-NITRO-2,4-DIOXO-PYRIMIDIN-1-YL)OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
Definition date:	2007-11-07
Last modified:	2020-06-17
Identifier:	2'-deoxy-5-nitrouridine 5'-(dihydrogen phosphate)

P1B

P1B
Name:	(5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione
Formula:	C19 H20 N2 O3 S
SMILES:	O=C1NC(=O)SC1Cc3ccc(OCCc2ncc(cc2)CC)cc3
InChi:	InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)/t17-/m1/s1
Synonyms:	PIOGLITAZONE
Definition date:	2010-07-14
Last modified:	2020-06-17
Identifier:	(5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione

SNW

SNW
Name:	Deoxyfructosylglutamine
Formula:	C11 H20 N2 O8
SMILES:	NC(=O)CC[CH](NC[C]1(O)OC[CH](O)[CH](O)[CH]1O)C(O)=O
InChi:	InChI=1S/C11H20N2O8/c12-7(15)2-1-5(10(18)19)13-4-11(20)9(17)8(16)6(14)3-21-11/h5-6,8-9,13-14,16-17,20H,1-4H2,(H2,12,15)(H,18,19)/t5-,6+,8+,9-,11+/m0/s1
Synonyms:	santhopine
Definition date:	2016-06-12
Last modified:	2020-06-17
Release date:	2016-09-21
Identifier:	(2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{R},3~{S},4~{R},5~{R})-2,3,4,5-tetrakis(oxidanyl)oxan-2-yl]methylamino]pentanoic acid

P1D

P1D
Name:	((2S,3AS,4R,6S)-4-(HYDROXYMETHYL)-6-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-TETRAHYDROFURO[3,4-D][1,3]DIOXO L-2-YL)METHYLPHOSPHONIC ACID
Formula:	C13 H16 N3 O8 P
SMILES:	O=C1NC=Nc2c1ncc2C3OC(C4OC(OC34)CP(=O)(O)O)CO
InChi:	InChI=1S/C13H16N3O8P/c17-2-6-11-12(24-7(23-11)3-25(19,20)21)10(22-6)5-1-14-9-8(5)15-4-16-13(9)18/h1,4,6-7,10-12,14,17H,2-3H2,(H,15,16,18)(H2,19,20,21)/t6-,7-,10+,11-,12+/m1/s1
Synonyms:	9-DEAZAINOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE
Definition date:	2005-08-04
Last modified:	2020-06-17
Identifier:	(1S)-1,4-anhydro-1-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-O-[(1S)-2-phosphonoethylidene]-D-ribitol

THH

THH
Name:	N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID
Formula:	C20 H25 N7 O6
SMILES:	O=C(O)C(NC(=O)c1ccc(cc1)NCC2N(c3c(nc(nc3NC2)N)O)C)CCC(=O)O
InChi:	InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1
Synonyms:	5-METHYLTETRAHYDROFOLATE
Definition date:	2004-11-16
Last modified:	2020-06-17
Identifier:	N-{[4-({[(6S)-2-amino-4-hydroxy-5-methyl-5,6,7,8-tetrahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid

PUL

PUL
Name:	(1S,2S,3E,5E,7E,10S,11S,12S)-12-[(2R,4E,6E,8Z,10R,12E,14E,16Z,18S,19Z)-10,18-DIHYDROXY-12,16,19-TRIMETHYL-11,22-DIOXOOX ACYCLODOCOSA-4,6,8,12,14,16,19-HEPTAEN-2-YL]-2,11-DIHYDROXY-1,10-DIMETHYL-9-OXOTRIDECA-3,5,7-TRIEN-1-YL 6-DEOXY-2,4-DI-O-METHYL-BETA-L-GALACTOPYRANOSIDE
Formula:	C47 H66 O13
SMILES:	O=C1C(=CC=CC(=CC(O)C(=CCC(=O)OC(CC=CC=CC=CC1O)C(C)C(O)C(C(=O)C=CC=CC=CC(O)C(OC2OC(C(OC)C(O)C2OC)C)C)C)C)C)C
InChi:	InChI=1S/C47H66O13/c1-29-20-19-21-31(3)42(53)38(50)24-17-11-10-12-18-25-40(60-41(52)27-26-30(2)39(51)28-29)33(5)43(54)32(4)36(48)22-15-13-14-16-23-37(49)34(6)58-47-46(57-9)44(55)45(56-8)35(7)59-47/h10-24,26,28,32-35,37-40,43-47,49-51,54-55H,25,27H2,1-9H3/b11-10+,14-13+,18-12+,20-19+,22-15+,23-16+,24-17+,29-28+,30-26+,31-21+/t32-,33-,34+,35-,37+,38+,39-,40+,43-,44+,45+,46-,47-/m1/s1
Synonyms:	PULVOMYCIN
Definition date:	2005-11-18
Last modified:	2020-06-17
Identifier:	(1S,2S,3E,5E,7E,10S,11S,12S)-12-[(2S,4E,6E,8E,10S,12E,14E,16E,18R,19E)-10,18-dihydroxy-12,16,19-trimethyl-11,22-dioxooxacyclodocosa-4,6,8,12,14,16,19-heptaen-2-yl]-2,11-dihydroxy-1,10-dimethyl-9-oxotrideca-3,5,7-trien-1-yl 6-deoxy-2,4-di-O-methyl-beta-D-galactopyranoside

PG0

PG0
Name:	2-(2-METHOXYETHOXY)ETHANOL
Formula:	C5 H12 O3
SMILES:	OCCOCCOC
InChi:	InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3
Synonyms:	PEG 6000
Definition date:	2005-06-02
Last modified:	2020-06-17
Identifier:	2-(2-methoxyethoxy)ethanol

P1H

P1H
Name:	{(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-PROPYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}M ETHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Formula:	C30 H38 N8 O15 P2
SMILES:	CCCc1cc(ccn1)C(=O)[CH]2C=CN(C=C2C(N)=O)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O
InChi:	InChI=1S/C30H38N8O15P2/c1-2-3-15-8-14(4-6-33-15)21(39)16-5-7-37(9-17(16)27(32)44)29-24(42)22(40)18(51-29)10-49-54(45,46)53-55(47,48)50-11-19-23(41)25(43)30(52-19)38-13-36-20-26(31)34-12-35-28(20)38/h4-9,12-13,16,18-19,22-25,29-30,40-43H,2-3,10-11H2,1H3,(H2,32,44)(H,45,46)(H,47,48)(H2,31,34,35)/t16-,18+,19+,22+,23+,24+,25+,29+,30+/m0/s1
Synonyms:	2-PROPYL-ISONICOTINIC-ACYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
Definition date:	2006-11-10
Last modified:	2020-06-17
Identifier:	[(2R,3S,4R,5R)-5-[(4S)-3-aminocarbonyl-4-(2-propylpyridin-4-yl)carbonyl-4H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate

PG2

PG2
Name:	PROSTAGLANDIN D2
Formula:	C20 H32 O5
SMILES:	O=C1CC(O)C(CC=C/CCCC(=O)O)C1/C=C/C(O)CCCCC
InChi:	InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1
Synonyms:	(5E,13E)-9,15-DIHYDROXY-11-OXOPROSTA-5,13-DIEN-1-OIC ACID
Definition date:	2004-01-06
Last modified:	2020-06-17
Identifier:	(5Z,9alpha,13E,15S)-9,15-dihydroxy-11-oxoprosta-5,13-dien-1-oic acid

3BK

3BK
Name:	(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Formula:	C17 H18 Cl2 N6 O4
SMILES:	Clc1ccc(cc1Cl)CNc3nc2c(ncnc2n3C4OC(C(O)C4O)CO)N
InChi:	InChI=1S/C17H18Cl2N6O4/c18-8-2-1-7(3-9(8)19)4-21-17-24-11-14(20)22-6-23-15(11)25(17)16-13(28)12(27)10(5-26)29-16/h1-3,6,10,12-13,16,26-28H,4-5H2,(H,21,24)(H2,20,22,23)/t10-,12-,13-,16-/m1/s1
Synonyms:	8-[(3,4-dichlorobenzyl)amino]adenosine
Definition date:	2009-01-28
Last modified:	2020-06-17
Identifier:	8-[(3,4-dichlorobenzyl)amino]adenosine

THN

THN
Name:	2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
Formula:	C14 H14 N2 O5 S2
SMILES:	O=C(O)C(NC(=O)Cc1sccc1)C2=NC(C(=C)CS2)C(=O)O
InChi:	InChI=1S/C14H14N2O5S2/c1-7-6-23-12(16-10(7)13(18)19)11(14(20)21)15-9(17)5-8-3-2-4-22-8/h2-4,10-11H,1,5-6H2,(H,15,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1
Synonyms:	HYDROLYZED CEPHALOTHIN
Definition date:	2002-02-07
Last modified:	2020-06-17
Identifier:	(4S)-2-{(R)-carboxy[(thiophen-2-ylacetyl)amino]methyl}-5-methylidene-5,6-dihydro-4H-1,3-thiazine-4-carboxylic acid

XJX

XJX
Name:	Onalespib
Formula:	C24 H31 N3 O3
SMILES:	O=C(c1cc(c(O)cc1O)C(C)C)N3Cc2ccc(cc2C3)CN4CCN(CC4)C
InChi:	InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3
Synonyms:	AT13387
Definition date:	2010-07-06
Last modified:	2020-06-17
Identifier:	[2,4-dihydroxy-5-(propan-2-yl)phenyl]{5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydro-2H-isoindol-2-yl}methanone

XXZ

XXZ
Name:	1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE
Formula:	C20 H22 F N5 O
SMILES:	O=C(c1ccc(cc1)CN)N4CCC3(N=C(c2c(cccc2F)N3)N)CC4
InChi:	InChI=1S/C20H22FN5O/c21-15-2-1-3-16-17(15)18(23)25-20(24-16)8-10-26(11-9-20)19(27)14-6-4-13(12-22)5-7-14/h1-7,24H,8-12,22H2,(H2,23,25)
Synonyms:	AR-C120011
Definition date:	2006-04-27
Last modified:	2020-06-17
Identifier:	1-{[4-(aminomethyl)phenyl]carbonyl}-5'-fluoro-1'H-spiro[piperidine-4,2'-quinazolin]-4'-amine

Z81

Z81
Name:	(5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one
Formula:	C21 H16 F2 N4 O
SMILES:	CN1C(=N[C](C1=O)(c2ccncc2)c3cccc(c3)c4cc(F)ccc4F)N
InChi:	InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)/t21-/m1/s1
Synonyms:	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID
Definition date:	2010-02-05
Last modified:	2020-06-17
Identifier:	(5S)-2-azanyl-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-yl-imidazol-4-one

Z83

Z83
Name:	(4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid
Formula:	C19 H21 N5 O3 S
SMILES:	CC(C)(C)c1cc(NC(=O)Nc2sccn2)n(n1)c3ccc(CC(O)=O)cc3
InChi:	InChI=1S/C19H21N5O3S/c1-19(2,3)14-11-15(21-17(27)22-18-20-8-9-28-18)24(23-14)13-6-4-12(5-7-13)10-16(25)26/h4-9,11H,10H2,1-3H3,(H,25,26)(H2,20,21,22,27)
Synonyms:	2-(4-(3-tert-butyl-5-(3-thiazol-2-ylureido)-1H-pyrazol-1-yl)phenyl)acetic acid
Definition date:	2010-01-24
Last modified:	2020-06-17
Identifier:	2-[4-[3-tert-butyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]ethanoic acid

YOK

YOK
Name:	[[2,2'-[4-CARBOXYETHYL-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON
Formula:	C23 H18 Fe N2 O4
SMILES:	O=C(O)CCc6cc1c([N+]4=Cc5ccccc5O[Fe]24Oc3c(C=[N+]12)cccc3)cc6
InChi:	InChI=1S/C23H20N2O4.Fe/c26-21-7-3-1-5-17(21)14-24-19-11-9-16(10-12-23(28)29)13-20(19)25-15-18-6-2-4-8-22(18)27
Synonyms:	SALOPHEN-10-PROPIONATE IRON CHELATE
Definition date:	2005-03-09
Last modified:	2020-06-17
Identifier:	{3-[3,4-bis({[2-(hydroxy-kappaO)phenyl]methylidene}amino-kappaN)phenyl]propanoato(2-)}iron(2+)

THT

THT
Name:	TRANS-2-HEXADECENOYL-(N-ACETYL-CYSTEAMINE)-THIOESTER
Formula:	C20 H39 N O2 S
SMILES:	O=C(SCCNC(=O)C)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C20H39NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-17-21-19(2)22/h3-18H2,1-2H3,(H,21,22)
Synonyms:	C16-FATTY-ACYL-SUBSTRATE-MIMIC
Definition date:	1999-07-19
Last modified:	2020-06-17
Identifier:	S-[2-(acetylamino)ethyl] hexadecanethioate

3BS

3BS
Name:	3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide
Formula:	C16 H25 Cl N4 O3 S2
SMILES:	O=S(=O)(N)c1ccc(c(Cl)c1)NC(=S)NC2CC(N(O)C(C)(C)C2)(C)C
InChi:	InChI=1S/C16H25ClN4O3S2/c1-15(2)8-10(9-16(3,4)21(15)22)19-14(25)20-13-6-5-11(7-12(13)17)26(18,23)24/h5-7,10,22H,8-9H2,1-4H3,(H2,18,23,24)(H2,19,20,25)
Synonyms:	(4-{[(2-chloro-4-sulfamoylphenyl)carbamothioyl]amino}-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl
Definition date:	2008-09-12
Last modified:	2020-06-17
Identifier:	3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide

NSE

NSE
Name:	3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
Formula:	C14 H8 N4 O
SMILES:	N#Cc3cccc(c1nc(no1)c2cnccc2)c3
InChi:	InChI=1S/C14H8N4O/c15-8-10-3-1-4-11(7-10)14-17-13(18-19-14)12-5-2-6-16-9-12/h1-7,9H
Synonyms:	NS9283
Definition date:	2013-12-26
Last modified:	2020-06-17
Release date:	2014-07-08
Identifier:	3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

S9T

S9T
Name:	(1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Formula:	C20 H25 N O4
SMILES:	COc1ccc(C[CH]2NCCc3cc(OC)c(OC)cc23)cc1OC
InChi:	InChI=1S/C20H25NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12,16,21H,7-9H2,1-4H3/t16-/m0/s1
Synonyms:	S-Tetrahydropapaverine
Definition date:	2016-07-11
Last modified:	2020-06-17
Release date:	2016-09-07
Identifier:	(1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

3BT

3BT
Name:	2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
Formula:	C12 H18 N4 S2
SMILES:	S(C(=[N@H])N)CCc1cccc(c1)CCSC(=[N@H])N
InChi:	InChI=1S/C12H18N4S2/c13-11(14)17-6-4-9-2-1-3-10(8-9)5-7-18-12(15)16/h1-3,8H,4-7H2,(H3,13,14)(H3,15,16)
Synonyms:	S,S'-(1,3-PHENYLENE-BIS(1,2-ETHANEDIYL))BIS-ISOTHIOUREA
Definition date:	1999-09-23
Last modified:	2020-06-17
Identifier:	benzene-1,3-diyldiethane-2,1-diyl bis(imidothiocarbamate)

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