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Z5D

Z5D
Name:	(2E)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid
Formula:	C24 H18 N4 O4 S
SMILES:	[O-][N+](=O)c1ccccc1C/C(=NNc1nc(cs1)c1ccc(cc1)c1ccccc1)C(=O)O
InChi:	InChI=1S/C24H18N4O4S/c29-23(30)20(14-19-8-4-5-9-22(19)28(31)32)26-27-24-25-21(15-33-24)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,15H,14H2,(H,25,27)(H,29,30)/b26-20+
Definition date:	2021-04-08
Last modified:	2021-04-23
Release date:	2021-04-28
Identifier:	(2E)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid

Z7P

Z7P
Name:	(2R,3R,4S,5S,6R)-3,4-dihydroxy-5-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyloxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
Formula:	C23 H33 N4 O20 P3
SMILES:	O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OC(C)C(/N=C/c3c(COP(=O)(O)O)cnc(C)c3O)C(O)C2O)C(O)C1O
InChi:	InChI=1S/C23H33N4O20P3/c1-9-16(29)12(11(5-24-9)7-42-48(35,36)37)6-25-15-10(2)44-22(20(33)18(15)31)46-50(40,41)47-49(38,39)43-8-13-17(30)19(32)21(45-13)27-4-3-14(28)26-23(27)34/h3-6,10,13,15,17-22,29-33H,7-8H2,1-2H3,(H,38,39)(H,40,41)(H,26,28,34)(H2,35,36,37)/b25-6+/t10-,13-,15-,17-,18+,19-,20-,21-,22-/m1/s1
Definition date:	2021-04-12
Last modified:	2021-04-23
Release date:	2021-04-28
Identifier:	(2R,3R,4S,5S,6R)-3,4-dihydroxy-5-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyloxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)

VHY

VHY
Name:	(2R)-3-(phosphonooxy)propane-1,2-diyl dibutanoate
Formula:	C11 H21 O8 P
SMILES:	CCCC(OCC(OC(=O)CCC)COP(=O)(O)O)=O
InChi:	InChI=1S/C11H21O8P/c1-3-5-10(12)17-7-9(8-18-20(14,15)16)19-11(13)6-4-2/h9H,3-8H2,1-2H3,(H2,14,15,16)/t9-/m1/s1
Definition date:	2020-08-13
Last modified:	2021-04-23
Release date:	2021-04-28
Identifier:	(2R)-3-(phosphonooxy)propane-1,2-diyl dibutanoate

WE4

WE4
Name:	2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid
Formula:	C8 H2 Br4 O4
SMILES:	C(O)(c1c(c(c(C(O)=O)c(Br)c1Br)Br)Br)=O
InChi:	InChI=1S/C8H2Br4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)
Definition date:	2020-10-20
Last modified:	2021-04-23
Release date:	2021-04-28
Identifier:	2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid

V5E

V5E
Name:	5-Bromo-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
Formula:	C20 H24 Br N7 O
SMILES:	Brc1cnc(Nc2cccc(CN3CCOCC3)c2)nc1NCCc4[nH]cnc4
InChi:	InChI=1S/C20H24BrN7O/c21-18-12-24-20(27-19(18)23-5-4-17-11-22-14-25-17)26-16-3-1-2-15(10-16)13-28-6-8-29-9-7-28/h1-3,10-12,14H,4-9,13H2,(H,22,25)(H2,23,24,26,27)
Synonyms:	5-bromanyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
Definition date:	2021-04-15
Last modified:	2021-04-23
Release date:	2021-04-28
Identifier:	5-bromanyl-~{N}4-[2-(1~{H}-imidazol-5-yl)ethyl]-~{N}2-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine

TKN

TKN
Name:	methyl 2-methoxy-6-[(~{E})-8-(1,2,3,4-tetrahydroacridin-9-ylamino)oct-6-enyl]benzoate
Formula:	C30 H36 N2 O3
SMILES:	COC(=O)c1c(CCCCCC=CCNc2c3CCCCc3nc4ccccc24)cccc1OC
InChi:	InChI=1S/C30H36N2O3/c1-34-27-20-13-15-22(28(27)30(33)35-2)14-7-5-3-4-6-12-21-31-29-23-16-8-10-18-25(23)32-26-19-11-9-17-24(26)29/h6,8,10,12-13,15-16,18,20H,3-5,7,9,11,14,17,19,21H2,1-2H3,(H,31,32)/b12-6+
Definition date:	2021-01-07
Last modified:	2021-04-23
Release date:	2021-04-28
Identifier:	methyl 2-methoxy-6-[(~{E})-8-(1,2,3,4-tetrahydroacridin-9-ylamino)oct-6-enyl]benzoate

KTE

KTE
Name:	(2~{S},3~{R})-4-[(2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxybutane-1,2,3-triol
Formula:	C10 H20 O9
SMILES:	OC[CH](O)[CH](O)CO[C]1(CO)O[CH](CO)[CH](O)[CH]1O
InChi:	InChI=1S/C10H20O9/c11-1-5(14)6(15)3-18-10(4-13)9(17)8(16)7(2-12)19-10/h5-9,11-17H,1-4H2/t5-,6+,7+,8+,9-,10+/m0/s1
Definition date:	2019-06-20
Last modified:	2021-04-23
Release date:	2021-04-28
Identifier:	(2~{S},3~{R})-4-[(2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxybutane-1,2,3-triol

P4Q

P4Q
Name:	pyrido[3,2-d]pyrimidin-4-amine
Formula:	C7 H6 N4
SMILES:	Nc1ncnc2cccnc12
InChi:	InChI=1S/C7H6N4/c8-7-6-5(10-4-11-7)2-1-3-9-6/h1-4H,(H2,8,10,11)
Definition date:	2020-04-15
Last modified:	2021-04-23
Release date:	2021-04-28
Identifier:	pyrido[3,2-d]pyrimidin-4-amine

P4W

P4W
Name:	~{N},~{N}-dimethylisoquinoline-5-sulfonamide
Formula:	C11 H12 N2 O2 S
SMILES:	CN(C)[S](=O)(=O)c1cccc2cnccc12
InChi:	InChI=1S/C11H12N2O2S/c1-13(2)16(14,15)11-5-3-4-9-8-12-7-6-10(9)11/h3-8H,1-2H3
Definition date:	2020-04-15
Last modified:	2021-04-23
Release date:	2021-04-28
Identifier:	~{N},~{N}-dimethylisoquinoline-5-sulfonamide

P75

P75
Name:	4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide
Formula:	C19 H22 N6 O7 S
SMILES:	CC1=CN([CH]2C[CH]([CH](CO)O2)n3cc(COc4ccc(cc4)[S](N)(=O)=O)nn3)C(=O)NC1=O
InChi:	InChI=1S/C19H22N6O7S/c1-11-7-24(19(28)21-18(11)27)17-6-15(16(9-26)32-17)25-8-12(22-23-25)10-31-13-2-4-14(5-3-13)33(20,29)30/h2-5,7-8,15-17,26H,6,9-10H2,1H3,(H2,20,29,30)(H,21,27,28)/t15-,16+,17+/m0/s1
Definition date:	2020-04-16
Last modified:	2021-04-23
Release date:	2021-04-28
Identifier:	4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide

EUO

EUO
Name:	6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine
Formula:	C14 H14 N4 O2 S
SMILES:	CNc1cc(nc(n1)[S](C)(=O)=O)c2ccc3[nH]ccc3c2
InChi:	InChI=1S/C14H14N4O2S/c1-15-13-8-12(17-14(18-13)21(2,19)20)9-3-4-11-10(7-9)5-6-16-11/h3-8,16H,1-2H3,(H,15,17,18)
Definition date:	2020-01-28
Last modified:	2021-04-23
Release date:	2021-04-28
Identifier:	6-(1~{H}-indol-5-yl)-~{N}-methyl-2-methylsulfonyl-pyrimidin-4-amine

EUU

EUU
Name:	6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine
Formula:	C21 H29 N5 O2 S
SMILES:	CCCNc1cc(nc(n1)[S](C)(=O)=O)c2ccc3n(CCCN(C)C)ccc3c2
InChi:	InChI=1S/C21H29N5O2S/c1-5-10-22-20-15-18(23-21(24-20)29(4,27)28)16-7-8-19-17(14-16)9-13-26(19)12-6-11-25(2)3/h7-9,13-15H,5-6,10-12H2,1-4H3,(H,22,23,24)
Definition date:	2020-01-28
Last modified:	2021-04-23
Release date:	2021-04-28
Identifier:	6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-~{N}-propyl-pyrimidin-4-amine

FN6

FN6
Name:	(2S)-2-azanyl-4-[[(2R)-3-(1H-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid
Formula:	C10 H16 N4 O4
SMILES:	N[CH](CCN[CH](Cc1c[nH]cn1)C(O)=O)C(O)=O
InChi:	InChI=1S/C10H16N4O4/c11-7(9(15)16)1-2-13-8(10(17)18)3-6-4-12-5-14-6/h4-5,7-8,13H,1-3,11H2,(H,12,14)(H,15,16)(H,17,18)/t7-,8+/m0/s1
Definition date:	2020-06-08
Last modified:	2021-04-23
Release date:	2021-04-28
Identifier:	(2~{S})-2-azanyl-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid

FQ0

FQ0
Name:	2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol
Formula:	C18 H32 O3
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCOC(CO)CO
InChi:	InChI=1S/C18H32O3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-21-18(13-19)14-20/h7,9,11,18-20H,5-6,8,10,12-14H2,1-4H3/b16-9+,17-11+
Definition date:	2020-06-12
Last modified:	2021-04-23
Release date:	2021-04-28
Identifier:	2-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol

FQF

FQF
Name:	(2R)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol
Formula:	C18 H32 O3
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCOC[CH](O)CO
InChi:	InChI=1S/C18H32O3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-21-14-18(20)13-19/h7,9,11,18-20H,5-6,8,10,12-14H2,1-4H3/b16-9+,17-11+/t18-/m1/s1
Definition date:	2020-06-15
Last modified:	2021-04-23
Release date:	2021-04-28
Identifier:	(2~{R})-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol

FV3

FV3
Name:	(2S)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol
Formula:	C18 H32 O3
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCOC[CH](O)CO
InChi:	InChI=1S/C18H32O3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-21-14-18(20)13-19/h7,9,11,18-20H,5-6,8,10,12-14H2,1-4H3/b16-9+,17-11+/t18-/m0/s1
Definition date:	2020-06-17
Last modified:	2021-04-23
Release date:	2021-04-28
Identifier:	(2~{S})-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol

G9C

G9C
Name:	N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
Formula:	C24 H18 F3 N3 O
SMILES:	C[CH](NC(=O)c1cnc2c(cccc2c3ccc(cc3)C(F)(F)F)c1)c4ccccn4
InChi:	InChI=1S/C24H18F3N3O/c1-15(21-7-2-3-12-28-21)30-23(31)18-13-17-5-4-6-20(22(17)29-14-18)16-8-10-19(11-9-16)24(25,26)27/h2-15H,1H3,(H,30,31)/t15-/m0/s1
Definition date:	2020-08-06
Last modified:	2021-04-23
Release date:	2021-04-28
Identifier:	~{N}-[(1~{S})-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide

G9O

G9O
Name:	N-oxidanyltetradecanamide
Formula:	C14 H29 N O2
SMILES:	CCCCCCCCCCCCCC(=O)NO
InChi:	InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15-17/h17H,2-13H2,1H3,(H,15,16)
Definition date:	2020-08-06
Last modified:	2021-04-23
Release date:	2021-04-28
Identifier:	~{N}-oxidanyltetradecanamide

GEX

GEX
Name:	1-(2-methylsulfanylphenyl)piperazine
Formula:	C11 H16 N2 S
SMILES:	CSc1ccccc1N2CCNCC2
InChi:	InChI=1S/C11H16N2S/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
Definition date:	2020-08-26
Last modified:	2021-04-23
Release date:	2021-04-28
Identifier:	1-(2-methylsulfanylphenyl)piperazine

BPP

BPP
Name:	2-(4-benzylpiperidine-1-carbonyl)-1H-indole-5-carboximidamide
Formula:	C22 H24 N4 O
SMILES:	O=C(c1cc2cc(ccc2[NH]1)C(=N)N)N1CCC(Cc2ccccc2)CC1
InChi:	InChI=1S/C22H24N4O/c23-21(24)17-6-7-19-18(13-17)14-20(25-19)22(27)26-10-8-16(9-11-26)12-15-4-2-1-3-5-15/h1-7,13-14,16,25H,8-12H2,(H3,23,24)
Synonyms:	5-amidinoindole-4-benzylpiperidin
Definition date:	1999-10-11
Last modified:	2021-04-19
Identifier:	2-(4-benzylpiperidine-1-carbonyl)-1H-indole-5-carboximidamide

YFG

YFG
Name:	7-(cyclopentylamino)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one
Formula:	C20 H26 F N3 O2 S
SMILES:	C1CC(CCC1SCC3=Nc2cc(cc(c2C(N3)=O)F)NC4CCCC4)O
InChi:	InChI=1S/C20H26FN3O2S/c21-16-9-13(22-12-3-1-2-4-12)10-17-19(16)20(26)24-18(23-17)11-27-15-7-5-14(25)6-8-15/h9-10,12,14-15,22,25H,1-8,11H2,(H,23,24,26)/t14-,15-
Definition date:	2021-02-24
Last modified:	2021-04-16
Release date:	2021-04-21
Identifier:	7-(cyclopentylamino)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one

TNW

TNW
Name:	7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one
Formula:	C17 H16 Cl N3 O
SMILES:	CN(C)C1=NC(=O)N(c2cccc(C)c2)c3cc(Cl)ccc13
InChi:	InChI=1S/C17H16ClN3O/c1-11-5-4-6-13(9-11)21-15-10-12(18)7-8-14(15)16(20(2)3)19-17(21)22/h4-10H,1-3H3
Definition date:	2021-01-12
Last modified:	2021-04-16
Release date:	2021-04-21
Identifier:	7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one

TNZ

TNZ
Name:	6-chloranyl-2-methoxy-4-phenyl-quinazoline
Formula:	C15 H11 Cl N2 O
SMILES:	COc1nc2ccc(Cl)cc2c(n1)c3ccccc3
InChi:	InChI=1S/C15H11ClN2O/c1-19-15-17-13-8-7-11(16)9-12(13)14(18-15)10-5-3-2-4-6-10/h2-9H,1H3
Definition date:	2021-01-12
Last modified:	2021-04-16
Release date:	2021-04-21
Identifier:	6-chloranyl-2-methoxy-4-phenyl-quinazoline

TO5

TO5
Name:	7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one
Formula:	C15 H13 Cl N4 O
SMILES:	CN(C)C1=NC(=O)N(c2cccnc2)c3cc(Cl)ccc13
InChi:	InChI=1S/C15H13ClN4O/c1-19(2)14-12-6-5-10(16)8-13(12)20(15(21)18-14)11-4-3-7-17-9-11/h3-9H,1-2H3
Definition date:	2021-01-12
Last modified:	2021-04-16
Release date:	2021-04-21
Identifier:	7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one

TO8

TO8
Name:	7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one
Formula:	C10 H10 Cl N3 O
SMILES:	CN(C)C1=NC(=O)Nc2cc(Cl)ccc12
InChi:	InChI=1S/C10H10ClN3O/c1-14(2)9-7-4-3-6(11)5-8(7)12-10(15)13-9/h3-5H,1-2H3,(H,12,13,15)
Definition date:	2021-01-12
Last modified:	2021-04-16
Release date:	2021-04-21
Identifier:	7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one

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