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DW3

DW3
Name:	2-oxidanylethanal
Formula:	C2 H4 O2
SMILES:	OCC=O
InChi:	InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2
Definition date:	2019-09-12
Last modified:	2020-07-31
Release date:	2020-08-05
Identifier:	2-oxidanylethanal

KV9

KV9
Name:	7-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
Formula:	C26 H23 N3 O6 S
SMILES:	O1CCOc2c1cc(cc2C(=O)NCc3cnccc3)c4c5OC(=CC(=O)c5sc4)N6CCOCC6
InChi:	InChI=1S/C26H23N3O6S/c30-20-12-22(29-4-6-32-7-5-29)35-24-19(15-36-25(20)24)17-10-18(23-21(11-17)33-8-9-34-23)26(31)28-14-16-2-1-3-27-13-16/h1-3,10-13,15H,4-9,14H2,(H,28,31)
Definition date:	2020-06-01
Last modified:	2020-07-31
Release date:	2020-08-05
Identifier:	7-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

LVE

LVE
Name:	3-O-methyltolcapone
Formula:	C15 H13 N O5
SMILES:	COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2ccc(C)cc2
InChi:	InChI=1S/C15H13NO5/c1-9-3-5-10(6-4-9)14(17)11-7-12(16(19)20)15(18)13(8-11)21-2/h3-8,18H,1-2H3
Definition date:	2019-09-14
Last modified:	2020-07-31
Release date:	2020-08-05
Identifier:	(3-methoxy-5-nitro-4-oxidanyl-phenyl)-(4-methylphenyl)methanone

LWN

LWN
Name:	methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate
Formula:	C15 H14 F2 N6 O2
SMILES:	COC(=O)CNc1nc(Nc2ccc(F)c(F)c2)nc3n(C)ncc13
InChi:	InChI=1S/C15H14F2N6O2/c1-23-14-9(6-19-23)13(18-7-12(24)25-2)21-15(22-14)20-8-3-4-10(16)11(17)5-8/h3-6H,7H2,1-2H3,(H2,18,20,21,22)
Definition date:	2019-09-24
Last modified:	2020-07-31
Release date:	2020-08-05
Identifier:	methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate

NDX

NDX
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S},3~{a}~{S},3~{b}~{S},5~{a}~{R},8~{S},9~{a}~{R},9~{b}~{S},11~{a}~{S})-1-(~{tert}-butylcarbamoyl)-9~{a},11~{a}-dimethyl-7-oxidanylidene-1,2,3,3~{a},3~{b},4,5,5~{a},6,8,9,9~{b},10,11-tetradecahydroindeno[5,4-f]quinolin-8-yl]-3-aminocarbonyl-4~{H}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
Formula:	C44 H66 N9 O19 P3
SMILES:	CC(C)(C)NC(=O)[CH]1CC[CH]2[CH]3CC[CH]4NC(=O)[CH](C[C]4(C)[CH]3CC[C]12C)[CH]5C=CN(C=C5C(N)=O)[CH]6O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]7O[CH]([CH](O[P](O)(O)=O)[CH]7O)n8cnc9c(N)ncnc89)[CH](O)[CH]6O
InChi:	InChI=1S/C44H66N9O19P3/c1-42(2,3)51-39(59)26-8-7-24-21-6-9-29-44(5,25(21)10-12-43(24,26)4)14-22(38(58)50-29)20-11-13-52(15-23(20)36(46)57)40-33(56)31(54)27(69-40)16-67-74(63,64)72-75(65,66)68-17-28-32(55)34(71-73(60,61)62)41(70-28)53-19-49-30-35(45)47-18-48-37(30)53/h11,13,15,18-22,24-29,31-34,40-41,54-56H,6-10,12,14,16-17H2,1-5H3,(H2,46,57)(H,50,58)(H,51,59)(H,63,64)(H,65,66)(H2,45,47,48)(H2,60,61,62)/t20-,21+,22+,24+,25+,26-,27-,28-,29-,31-,32-,33-,34-,40-,41-,43+,44-/m1/s1
Definition date:	2020-04-15
Last modified:	2020-07-31
Release date:	2020-08-05
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S},3~{a}~{S},3~{b}~{S},5~{a}~{R},8~{S},9~{a}~{R},9~{b}~{S},11~{a}~{S})-1-(~{tert}-butylcarbamoyl)-9~{a},11~{a}-dimethyl-7-oxidanylidene-1,2,3,3~{a},3~{b},4,5,5~{a},6,8,9,9~{b},10,11-tetradecahydroindeno[5,4-f]quinolin-8-yl]-3-aminocarbonyl-4~{H}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate

NU2

NU2
Name:	(3~{R},6~{R})-6-[(2~{S})-butan-2-yl]-3-(2,3-dihydro-1~{H}-inden-2-yl)-1-[(1~{R})-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]piperazine-2,5-dione
Formula:	C27 H34 N4 O5
SMILES:	CC[CH](C)[CH]1N([CH](C(=O)N2CCOCC2)c3coc(C)n3)C(=O)[CH](NC1=O)C4Cc5ccccc5C4
InChi:	InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1
Definition date:	2019-12-13
Last modified:	2020-07-31
Release date:	2020-08-05
Identifier:	(3~{R},6~{R})-6-[(2~{S})-butan-2-yl]-3-(2,3-dihydro-1~{H}-inden-2-yl)-1-[(1~{R})-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]piperazine-2,5-dione

P7S

P7S
Name:	N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide
Formula:	C22 H29 Cl N4 O6
SMILES:	C2CN(C(C(C(C)(C)C)NC(c1ccc(c(c1)Cl)N)=O)=O)C(C(NC(CC(=O)O)C=O)=O)C2
InChi:	InChI=1S/C22H29ClN4O6/c1-22(2,3)18(26-19(31)12-6-7-15(24)14(23)9-12)21(33)27-8-4-5-16(27)20(32)25-13(11-28)10-17(29)30/h6-7,9,11,13,16,18H,4-5,8,10,24H2,1-3H3,(H,25,32)(H,26,31)(H,29,30)/t13-,16-,18+/m0/s1
Definition date:	2019-08-06
Last modified:	2020-07-31
Release date:	2020-08-05
Identifier:	N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide

QXM

QXM
Name:	(5R,6Z)-5-(hydroperoxy-kappaO)-5-(hydroxy-kappaO)-6-iminocyclohexa-1,3-diene-1-carboxylato(2-)iron
Formula:	C7 H4 Fe N O5
SMILES:	C12(/C(C(C(=O)[O-])=CC=C1)=N)O[Fe+2]OO2
InChi:	InChI=1S/C7H6NO5.Fe/c8-5-4(6(9)10)2-1-3-7(5,11)13-12
Definition date:	2020-01-13
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	(5~{R})-6-azanylidene-1,2,4-trioxa-3$l^{2}-ferraspiro[4.5]deca-7,9-diene-7-carboxylic acid

QKW

QKW
Name:	(4-chlorophenyl)methyl pyridine-3-carboxylate
Formula:	C13 H10 Cl N O2
SMILES:	Clc1ccc(COC(=O)c2cccnc2)cc1
InChi:	InChI=1S/C13H10ClNO2/c14-12-5-3-10(4-6-12)9-17-13(16)11-2-1-7-15-8-11/h1-8H,9H2
Definition date:	2020-06-23
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	(4-chlorophenyl)methyl pyridine-3-carboxylate

QKZ

QKZ
Name:	2-(4-chlorophenyl)-~{N}-pyrimidin-2-yl-ethanamide
Formula:	C12 H10 Cl N3 O
SMILES:	Clc1ccc(CC(=O)Nc2ncccn2)cc1
InChi:	InChI=1S/C12H10ClN3O/c13-10-4-2-9(3-5-10)8-11(17)16-12-14-6-1-7-15-12/h1-7H,8H2,(H,14,15,16,17)
Definition date:	2020-06-23
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	2-(4-chlorophenyl)-~{N}-pyrimidin-2-yl-ethanamide

QL5

QL5
Name:	(2,5-dimethylphenyl) pyridine-4-carboxylate
Formula:	C14 H13 N O2
SMILES:	Cc1ccc(C)c(OC(=O)c2ccncc2)c1
InChi:	InChI=1S/C14H13NO2/c1-10-3-4-11(2)13(9-10)17-14(16)12-5-7-15-8-6-12/h3-9H,1-2H3
Definition date:	2020-06-23
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	(2,5-dimethylphenyl) pyridine-4-carboxylate

DKR

DKR
Name:	N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide
Formula:	C13 H14 N2 O
SMILES:	Cc1ccc(CNC(=O)c2[nH]ccc2)cc1
InChi:	InChI=1S/C13H14N2O/c1-10-4-6-11(7-5-10)9-15-13(16)12-3-2-8-14-12/h2-8,14H,9H2,1H3,(H,15,16)
Definition date:	2019-08-08
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	~{N}-[(4-methylphenyl)methyl]-1~{H}-pyrrole-2-carboxamide

QM2

QM2
Name:	2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid
Formula:	C17 H14 N2 O2 S2
SMILES:	OC(=O)CSc1ncnc2cc(sc12)c3ccc(cc3)C4CC4
InChi:	InChI=1S/C17H14N2O2S2/c20-15(21)8-22-17-16-13(18-9-19-17)7-14(23-16)12-5-3-11(4-6-12)10-1-2-10/h3-7,9-10H,1-2,8H2,(H,20,21)
Definition date:	2020-06-29
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid

V1D

V1D
Name:	N-[(1S)-1-[4-(2-fluorophenyl)-1H-imidazol-2-yl]-7,7-dihydroxy-7-(1,2-oxazol-3-yl)heptyl]-1-methylazetidine-3-carboxamide
Formula:	C24 H30 F N5 O4
SMILES:	Fc1ccccc1c2cnc(n2)C(NC(C3CN(C)C3)=O)CCCCCC(c4ccon4)(O)O
InChi:	InChI=1S/C24H30FN5O4/c1-30-14-16(15-30)23(31)28-19(9-3-2-6-11-24(32,33)21-10-12-34-29-21)22-26-13-20(27-22)17-7-4-5-8-18(17)25/h4-5,7-8,10,12-13,16,19,32-33H,2-3,6,9,11,14-15H2,1H3,(H,26,27)(H,28,31)/t19-/m0/s1
Definition date:	2020-06-12
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	N-[(1S)-1-[4-(2-fluorophenyl)-1H-imidazol-2-yl]-7,7-dihydroxy-7-(1,2-oxazol-3-yl)heptyl]-1-methylazetidine-3-carboxamide

QAN

QAN
Name:	(3~{R},4~{R})-~{N}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide
Formula:	C26 H33 N5 O3
SMILES:	CN1CC[CH](Nc2ncc(c3occc3)c4C=C(C)C(=O)Nc24)[CH](C1)C(=O)NC5CCCCC5
InChi:	InChI=1S/C26H33N5O3/c1-16-13-18-19(22-9-6-12-34-22)14-27-24(23(18)30-25(16)32)29-21-10-11-31(2)15-20(21)26(33)28-17-7-4-3-5-8-17/h6,9,12-14,17,20-21H,3-5,7-8,10-11,15H2,1-2H3,(H,27,29)(H,28,33)(H,30,32)/t20-,21-/m1/s1
Definition date:	2020-06-01
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	(3~{R},4~{R})-~{N}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide

QAZ

QAZ
Name:	(3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide
Formula:	C21 H29 N5 O2
SMILES:	CC1=Cc2ccnc(N[CH]3CCNC[CH]3C(=O)NC4CCCCC4)c2NC1=O
InChi:	InChI=1S/C21H29N5O2/c1-13-11-14-7-10-23-19(18(14)26-20(13)27)25-17-8-9-22-12-16(17)21(28)24-15-5-3-2-4-6-15/h7,10-11,15-17,22H,2-6,8-9,12H2,1H3,(H,23,25)(H,24,28)(H,26,27)/t16-,17-/m1/s1
Synonyms:	(3~{R},4~{R})-~{N}-cyclohexyl-4-[(3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide
Definition date:	2020-06-01
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	(3~{R},4~{R})-~{N}-cyclohexyl-4-[(3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide

QB8

QB8
Name:	~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide
Formula:	C20 H17 N7 O
SMILES:	CC(=O)Nc1ccc2ccn(c3cc(NC4CC4)n5ncc(C#N)c5n3)c2c1
InChi:	InChI=1S/C20H17N7O/c1-12(28)23-16-3-2-13-6-7-26(17(13)8-16)18-9-19(24-15-4-5-15)27-20(25-18)14(10-21)11-22-27/h2-3,6-9,11,15,24H,4-5H2,1H3,(H,23,28)
Definition date:	2020-06-02
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide

QBE

QBE
Name:	~{N}-[5-[[3-cyano-7-(cyclopropylamino)-3~{H}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide
Formula:	C20 H21 N7 O
SMILES:	CCC(=O)Nc1cc(Nc2cc(NC3CC3)n4ncc(C#N)c4n2)ccc1C
InChi:	InChI=1S/C20H21N7O/c1-3-19(28)25-16-8-15(5-4-12(16)2)23-17-9-18(24-14-6-7-14)27-20(26-17)13(10-21)11-22-27/h4-5,8-9,11,14,24H,3,6-7H2,1-2H3,(H,23,26)(H,25,28)
Definition date:	2020-06-02
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide

QDQ

QDQ
Name:	~{N}-[2-[[(2~{S})-3-[[(2~{S})-3-[[1-[2-[2-[2-[4-[4-[5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methylamino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide
Formula:	C54 H62 F N13 O18
SMILES:	CC(=O)NCC1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(=O)COCCOCCn4cc(CNC(=O)[CH](CNC(=O)[CH](CNC(=O)CNC(=O)c5cccc(O)c5O)NC(=O)c6cccc(O)c6O)NC(=O)c7cccc(O)c7O)nn4)c(F)c2
InChi:	InChI=1S/C54H62FN13O18/c1-30(69)56-23-33-28-68(54(83)86-33)32-11-12-40(37(55)21-32)65-13-15-66(16-14-65)45(74)29-85-20-19-84-18-17-67-27-31(63-64-67)22-58-52(81)39(62-51(80)36-7-4-10-43(72)48(36)77)25-59-53(82)38(61-50(79)35-6-3-9-42(71)47(35)76)24-57-44(73)26-60-49(78)34-5-2-8-41(70)46(34)75/h2-12,21,27,33,38-39,70-72,75-77H,13-20,22-26,28-29H2,1H3,(H,56,69)(H,57,73)(H,58,81)(H,59,82)(H,60,78)(H,61,79)(H,62,80)/t33?,38-,39-/m0/s1
Definition date:	2020-06-08
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	~{N}-[2-[[(2~{S})-3-[[(2~{S})-3-[[1-[2-[2-[2-[4-[4-[(5~{S})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methylamino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide

QDW

QDW
Name:	methoxymethyloxathiatetraazatetracyclodocosahexaenedione
Formula:	C18 H22 N4 O4 S
SMILES:	COc1ncc2cc1N[S](=O)(=O)CCN(C)Cc3ccc4OCCN2c4c3
InChi:	InChI=1S/C18H22N4O4S/c1-21-6-8-27(23,24)20-15-10-14(11-19-18(15)25-2)22-5-7-26-17-4-3-13(12-21)9-16(17)22/h3-4,9-11,20H,5-8,12H2,1-2H3
Definition date:	2020-06-08
Last modified:	2020-07-24
Release date:	2020-07-29

QF2

QF2
Name:	6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione
Formula:	C17 H19 N3 O5
SMILES:	COc1cc(CN(CC2=CC(=O)NC(=O)N2)C3CC3)cc4OCOc14
InChi:	InChI=1S/C17H19N3O5/c1-23-13-4-10(5-14-16(13)25-9-24-14)7-20(12-2-3-12)8-11-6-15(21)19-17(22)18-11/h4-6,12H,2-3,7-9H2,1H3,(H2,18,19,21,22)
Definition date:	2020-06-12
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione

U2V

U2V
Name:	5-({[4-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)phenyl]carbamoyl}amino)-N-hydroxypentanamide
Formula:	C23 H27 Cl F3 N5 O5 S
SMILES:	c1cc(NC(NCCCCC(NO)=O)=O)ccc1S(N3CCN(c2cc(cc(c2)C(F)(F)F)Cl)CC3)(=O)=O
InChi:	InChI=1S/C23H27ClF3N5O5S/c24-17-13-16(23(25,26)27)14-19(15-17)31-9-11-32(12-10-31)38(36,37)20-6-4-18(5-7-20)29-22(34)28-8-2-1-3-21(33)30-35/h4-7,13-15,35H,1-3,8-12H2,(H,30,33)(H2,28,29,34)
Definition date:	2020-04-10
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	5-({[4-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)phenyl]carbamoyl}amino)-N-hydroxypentanamide

QGN

QGN
Name:	4,5-dimethyl-1~{H}-pyrazolo[3,4-c]pyridazin-3-amine
Formula:	C7 H9 N5
SMILES:	Cc1nnc2[nH]nc(N)c2c1C
InChi:	InChI=1S/C7H9N5/c1-3-4(2)9-11-7-5(3)6(8)10-12-7/h1-2H3,(H3,8,10,11,12)
Definition date:	2020-06-16
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	4,5-dimethyl-1~{H}-pyrazolo[3,4-c]pyridazin-3-amine

QGQ

QGQ
Name:	3,5-dimethyl-4-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole
Formula:	C11 H13 N3 O S
SMILES:	Cc1onc(C)c1CSc2cc(C)ncn2
InChi:	InChI=1S/C11H13N3OS/c1-7-4-11(13-6-12-7)16-5-10-8(2)14-15-9(10)3/h4,6H,5H2,1-3H3
Definition date:	2020-06-16
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	3,5-dimethyl-4-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole

QHE

QHE
Name:	3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
Formula:	C12 H11 N3 S
SMILES:	CCc1nnc2scc(n12)c3ccccc3
InChi:	InChI=1S/C12H11N3S/c1-2-11-13-14-12-15(11)10(8-16-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3
Definition date:	2020-06-17
Last modified:	2020-07-24
Release date:	2020-07-29
Identifier:	3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

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