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VGZ

VGZ
Name:	4-acetamido-~{N}-(2-methoxyphenyl)benzamide
Formula:	C16 H16 N2 O3
SMILES:	COc1ccccc1NC(=O)c2ccc(NC(C)=O)cc2
InChi:	InChI=1S/C16H16N2O3/c1-11(19)17-13-9-7-12(8-10-13)16(20)18-14-5-3-4-6-15(14)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
Definition date:	2021-05-18
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	4-acetamido-~{N}-(2-methoxyphenyl)benzamide

VJQ

VJQ
Name:	3-[(S)-dioxidanyl(phenyl)methyl]-4-methyl-2-oxidanyl-1H-1,4-benzodiazepin-5-one
Formula:	C17 H16 N2 O4
SMILES:	CN1C(=O)c2ccccc2NC(=C1[CH](OO)c3ccccc3)O
InChi:	InChI=1S/C17H16N2O4/c1-19-14(15(23-22)11-7-3-2-4-8-11)16(20)18-13-10-6-5-9-12(13)17(19)21/h2-10,15,18,20,22H,1H3/t15-/m0/s1
Definition date:	2021-05-20
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	3-[(~{S})-dioxidanyl(phenyl)methyl]-4-methyl-2-oxidanyl-1~{H}-1,4-benzodiazepin-5-one

VJT

VJT
Name:	(2-(4-(beta-L-fucopyranosylethynyl)phenyl)-2-methylpropan-1-amine
Formula:	C18 H25 N O4
SMILES:	C[CH]1O[CH](C#Cc2ccc(cc2)C(C)(C)CN)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C18H25NO4/c1-11-15(20)17(22)16(21)14(23-11)9-6-12-4-7-13(8-5-12)18(2,3)10-19/h4-5,7-8,11,14-17,20-22H,10,19H2,1-3H3/t11-,14+,15+,16+,17+/m0/s1
Synonyms:	(2~{R},3~{S},4~{R},5~{S},6~{S})-2-[2-[4-(1-azanyl-2-methyl-propan-2-yl)phenyl]ethynyl]-6-methyl-oxane-3,4,5-triol
Definition date:	2021-05-20
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	(2~{R},3~{S},4~{R},5~{S},6~{S})-2-[2-[4-(1-azanyl-2-methyl-propan-2-yl)phenyl]ethynyl]-6-methyl-oxane-3,4,5-triol

VJW

VJW
Name:	5-(3-aminophenyl)furan-2-carboxamido-(beta-L-fucopyranose)
Formula:	C17 H20 N2 O6
SMILES:	C[CH]1O[CH](NC(=O)c2oc(cc2)c3cccc(N)c3)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C17H20N2O6/c1-8-13(20)14(21)15(22)17(24-8)19-16(23)12-6-5-11(25-12)9-3-2-4-10(18)7-9/h2-8,13-15,17,20-22H,18H2,1H3,(H,19,23)/t8-,13+,14+,15-,17-/m0/s1
Synonyms:	5-(3-aminophenyl)-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide
Definition date:	2021-05-20
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	5-(3-aminophenyl)-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide

MMX

MMX
Name:	3-ethyl-3,4,5,6-tetrahydrocytidine 5'-(dihydrogen phosphate)
Formula:	C11 H22 N3 O8 P
SMILES:	O=P(O)(O)OCC1OC(N2CCC(N)N(CC)C2=O)C(O)C1O
InChi:	InChI=1S/C11H22N3O8P/c1-2-13-7(12)3-4-14(11(13)17)10-9(16)8(15)6(22-10)5-21-23(18,19)20/h6-10,15-16H,2-5,12H2,1H3,(H2,18,19,20)/t6-,7+,8-,9-,10-/m1/s1
Definition date:	2022-03-17
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	3-ethyl-3,4,5,6-tetrahydrocytidine 5'-(dihydrogen phosphate)

VK8

VK8
Name:	6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
Formula:	C25 H20 N4 O3
SMILES:	Oc1ccc(CN2N=C3N(C=C(N=C3Cc4ccccc4)c5ccc(O)cc5)C2=O)cc1
InChi:	InChI=1S/C25H20N4O3/c30-20-10-6-18(7-11-20)15-29-25(32)28-16-23(19-8-12-21(31)13-9-19)26-22(24(28)27-29)14-17-4-2-1-3-5-17/h1-13,16,30-31H,14-15H2
Definition date:	2021-05-21
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

VKB

VKB
Name:	4-[5-azanyl-6-(phenylmethyl)pyrazin-2-yl]phenol
Formula:	C17 H15 N3 O
SMILES:	Nc1ncc(nc1Cc2ccccc2)c3ccc(O)cc3
InChi:	InChI=1S/C17H15N3O/c18-17-15(10-12-4-2-1-3-5-12)20-16(11-19-17)13-6-8-14(21)9-7-13/h1-9,11,21H,10H2,(H2,18,19)
Definition date:	2021-05-24
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	4-[5-azanyl-6-(phenylmethyl)pyrazin-2-yl]phenol

SDW

SDW
Name:	2-cyclopropyl-~{N}-(4-iodophenyl)quinazolin-4-amine
Formula:	C17 H14 I N3
SMILES:	Ic1ccc(Nc2nc(nc3ccccc23)C4CC4)cc1
InChi:	InChI=1S/C17H14IN3/c18-12-7-9-13(10-8-12)19-17-14-3-1-2-4-15(14)20-16(21-17)11-5-6-11/h1-4,7-11H,5-6H2,(H,19,20,21)
Definition date:	2020-11-13
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	2-cyclopropyl-~{N}-(4-iodophenyl)quinazolin-4-amine

SEQ

SEQ
Name:	~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine
Formula:	C17 H21 N3
SMILES:	C1CCC(CC1)Nc2nc(nc3ccccc23)C4CC4
InChi:	InChI=1S/C17H21N3/c1-2-6-13(7-3-1)18-17-14-8-4-5-9-15(14)19-16(20-17)12-10-11-12/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,18,19,20)
Synonyms:	TH10785
Definition date:	2020-11-13
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine

MQ6

MQ6
Name:	Harringtonine
Formula:	C28 H37 N O9
SMILES:	O=C(OC)CC(O)(CCC(C)(C)O)C(=O)OC1C2c3cc4OCOc4cc3CCN3CCCC23C=C1OC
InChi:	InChI=1S/C28H37NO9/c1-26(2,32)8-9-28(33,15-22(30)35-4)25(31)38-24-21(34-3)14-27-7-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,32-33H,5-11,15-16H2,1-4H3/t23-,24-,27+,28+/m1/s1
Synonyms:	(9R)-O~3~-[(2S)-2,5-dihydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine
Definition date:	2022-03-17
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	(9R)-O~3~-[(2S)-2,5-dihydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine

SJE

SJE
Name:	(2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,4R,6R)-3-hydroxy-4-(methoxyamino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-((2-nitrophenyl)sulfonamido)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate
Formula:	C58 H96 N4 O24 S
SMILES:	CON[CH]1C[CH](C)O[CH](O[CH]2[CH](C)C[C](C)(OC(=O)NCCN[S](=O)(=O)c3ccccc3[N](=O)=O)C(=O)[CH](C)[CH](OC(=O)CC(C)C)[CH](C)[CH](OC(=O)[CH](C)[CH](O[CH]4C[C](C)(O)[CH](O)[CH](C)O4)[CH]2C)[CH](C)CO[CH]5O[CH](C)[CH](O)[CH](OC)[CH]5OC)[CH]1O
InChi:	InChI=1S/C58H96N4O24S/c1-28(2)23-41(63)82-47-33(7)46(30(4)27-78-55-50(76-15)49(75-14)43(64)36(10)81-55)84-53(68)35(9)48(83-42-26-57(12,70)52(67)37(11)80-42)32(6)45(85-54-44(65)38(61-77-16)24-31(5)79-54)29(3)25-58(13,51(66)34(47)8)86-56(69)59-21-22-60-87(73,74)40-20-18-17-19-39(40)62(71)72/h17-20,28-38,42-50,52,54-55,60-61,64-65,67,70H,21-27H2,1-16H3,(H,59,69)/t29-,30-,31+,32+,33-,34+,35+,36+,37-,38+,42-,43+,44+,45-,46+,47+,48-,49+,50+,52-,54-,55+,57+,58-/m0/s1
Synonyms:	[(2~{R},3~{S},4~{R},5~{R},7~{S},9~{S},10~{S},11~{R},12~{S},13~{R})-2-[(2~{S})-1-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxypropan-2-yl]-12-[(2~{R},4~{R},5~{S},6~{S})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-10-[(2~{S},3~{R},4~{R},6~{R})-4-(methoxyamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-[2-[(2-nitrophenyl)sulfonylamino]ethylcarbamoyloxy]-6,14-bis(oxidanylidene)-1-oxacyclotetradec-4-yl] 3-methylbutanoate
Definition date:	2020-11-17
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	[(2~{R},3~{S},4~{R},5~{R},7~{S},9~{S},10~{S},11~{R},12~{S},13~{R})-2-[(2~{S})-1-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxypropan-2-yl]-12-[(2~{R},4~{R},5~{S},6~{S})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-10-[(2~{S},3~{R},4~{R},6~{R})-4-(methoxyamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-[2-[(2-nitrophenyl)sulfonylamino]ethylcarbamoyloxy]-6,14-bis(oxidanylidene)-1-oxacyclotetradec-4-yl] 3-methylbutanoate

OY3

OY3
Name:	(4Z)-4-({[(1E)-2-(3-bromophenyl)-1-carboxyethylidene]azaniumyl}methylidene)-2-methyl-5-[(phosphonooxy)methyl]-1,4-dihydropyridin-3-olate
Formula:	C17 H18 Br N2 O7 P
SMILES:	O=C(O)C(Cc1cccc(Br)c1)=[NH+]C=C1/C([O-])=C(C)NC=C1COP(=O)(O)O
InChi:	InChI=1S/C17H18BrN2O7P/c1-10-16(21)14(12(7-19-10)9-27-28(24,25)26)8-20-15(17(22)23)6-11-3-2-4-13(18)5-11/h2-5,7-8,19,21H,6,9H2,1H3,(H,22,23)(H2,24,25,26)/b14-8-,20-15+
Definition date:	2022-05-18
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	(4Z)-4-({[(1E)-2-(3-bromophenyl)-1-carboxyethylidene]azaniumyl}methylidene)-2-methyl-5-[(phosphonooxy)methyl]-1,4-dihydropyridin-3-olate

LB3

LB3
Name:	(9R,10R,11S,12R,13R,14R)-4-amino-9-(3,4-difluorophenyl)-6,7,8,9,10,11,12,13-octahydro-10,13-epoxy[1,3]diazecino[1,2-e]purine-11,12-diol
Formula:	C18 H18 F2 N6 O3
SMILES:	Fc1ccc(cc1F)C1CCNc2nc3c(N)ncnc3n2C2OC1C(O)C2O
InChi:	InChI=1S/C18H18F2N6O3/c19-9-2-1-7(5-10(9)20)8-3-4-22-18-25-11-15(21)23-6-24-16(11)26(18)17-13(28)12(27)14(8)29-17/h1-2,5-6,8,12-14,17,27-28H,3-4H2,(H,22,25)(H2,21,23,24)/t8-,12+,13-,14-,17-/m1/s1
Definition date:	2022-03-01
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	(9R,10R,11S,12R,13R,14R)-4-amino-9-(3,4-difluorophenyl)-6,7,8,9,10,11,12,13-octahydro-10,13-epoxy[1,3]diazecino[1,2-e]purine-11,12-diol

7UQ

7UQ
Name:	3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal
Formula:	C15 H12 F3 N O2
SMILES:	Fc1cc(F)c(OCc2cccnc2F)c(CCC=O)c1
InChi:	InChI=1S/C15H12F3NO2/c16-12-7-10(4-2-6-20)14(13(17)8-12)21-9-11-3-1-5-19-15(11)18/h1,3,5-8H,2,4,9H2
Definition date:	2021-10-27
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal

7UW

7UW
Name:	3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-4-yl)methoxy]phenyl]propanal
Formula:	C15 H12 F3 N O2
SMILES:	Fc1cc(F)c(OCc2ccnc(F)c2)c(CCC=O)c1
InChi:	InChI=1S/C15H12F3NO2/c16-12-7-11(2-1-5-20)15(13(17)8-12)21-9-10-3-4-19-14(18)6-10/h3-8H,1-2,9H2
Definition date:	2021-10-27
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-4-yl)methoxy]phenyl]propanal

9FI

9FI
Name:	~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide
Formula:	C33 H41 N5 O2
SMILES:	NC[CH]1CCC[CH](CNC(=O)[CH](Cc2c[nH]c3ccccc23)NC(=O)N4CCC5(CC4)C=Cc6ccccc56)C1
InChi:	InChI=1S/C33H41N5O2/c34-20-23-6-5-7-24(18-23)21-36-31(39)30(19-26-22-35-29-11-4-2-9-27(26)29)37-32(40)38-16-14-33(15-17-38)13-12-25-8-1-3-10-28(25)33/h1-4,8-13,22-24,30,35H,5-7,14-21,34H2,(H,36,39)(H,37,40)/t23-,24+,30+/m0/s1
Definition date:	2022-01-14
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide

9P5

9P5
Name:	(1R,3R)-2-[(S)-[2-chloranyl-3-[2-(1,3-dioxolan-2-yl)ethoxy]-4-methylsulfonyl-phenyl]-oxidanyl-methyl]cyclohexane-1,3-diol
Formula:	C19 H27 Cl O8 S
SMILES:	C[S](=O)(=O)c1ccc([CH](O)C2[CH](O)CCC[CH]2O)c(Cl)c1OCCC3OCCO3
InChi:	InChI=1S/C19H27ClO8S/c1-29(24,25)14-6-5-11(18(23)16-12(21)3-2-4-13(16)22)17(20)19(14)28-8-7-15-26-9-10-27-15/h5-6,12-13,15-16,18,21-23H,2-4,7-10H2,1H3/t12-,13-,18-/m1/s1
Definition date:	2022-03-11
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	(1~{R},3~{R})-2-[(~{S})-[2-chloranyl-3-[2-(1,3-dioxolan-2-yl)ethoxy]-4-methylsulfonyl-phenyl]-oxidanyl-methyl]cyclohexane-1,3-diol

9QL

9QL
Name:	2-methyl-4-(2-nitro-4-piperidin-1-yl-phenyl)carbonyl-5-phenyl-1H-pyrazol-3-one
Formula:	C22 H22 N4 O4
SMILES:	CN1NC(=C(C1=O)C(=O)c2ccc(cc2[N+]([O-])=O)N3CCCCC3)c4ccccc4
InChi:	InChI=1S/C22H22N4O4/c1-24-22(28)19(20(23-24)15-8-4-2-5-9-15)21(27)17-11-10-16(14-18(17)26(29)30)25-12-6-3-7-13-25/h2,4-5,8-11,14,23H,3,6-7,12-13H2,1H3
Definition date:	2022-03-14
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	2-methyl-4-(2-nitro-4-piperidin-1-yl-phenyl)carbonyl-5-phenyl-1~{H}-pyrazol-3-one

9R6

9R6
Name:	(1R,2S,3R)-1-cyclopropyl-2-(iminomethyl)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]propane-1,3-diol
Formula:	C15 H18 F3 N O4 S
SMILES:	C[S](=O)(=O)c1cc(ccc1[CH](O)[CH](C=N)[CH](O)C2CC2)C(F)(F)F
InChi:	InChI=1S/C15H18F3NO4S/c1-24(22,23)12-6-9(15(16,17)18)4-5-10(12)14(21)11(7-19)13(20)8-2-3-8/h4-8,11,13-14,19-21H,2-3H2,1H3/b19-7-/t11-,13+,14-/m0/s1
Definition date:	2022-03-14
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	(1~{R},2~{S},3~{R})-1-cyclopropyl-2-(iminomethyl)-3-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]propane-1,3-diol

AIY

AIY
Name:	(9bR)-2,6-diethanoyl-8,9b-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one
Formula:	C18 H16 O7
SMILES:	CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C]2(C)C1=O
InChi:	InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m0/s1
Synonyms:	(+)-Usnic acid
Definition date:	2022-03-17
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	(9~{b}~{R})-2,6-diethanoyl-8,9~{b}-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one

9US

9US
Name:	1,5-dimethyl-3-naphthalen-1-yl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
Formula:	C27 H22 N2 O5
SMILES:	CN1C(=O)N(C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O)c4cccc5ccccc45
InChi:	InChI=1S/C27H22N2O5/c1-15-17(25(32)24-21(30)11-6-12-22(24)31)13-14-20-23(15)26(33)29(27(34)28(20)2)19-10-5-8-16-7-3-4-9-18(16)19/h3-5,7-10,13-14,30H,6,11-12H2,1-2H3
Definition date:	2022-03-14
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	1,5-dimethyl-3-naphthalen-1-yl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione

9V4

9V4
Name:	2-methylsulfonyl-N-(1-methyl-1,2,3,4-tetrazol-5-yl)-4-(trifluoromethyl)benzamide
Formula:	C11 H10 F3 N5 O3 S
SMILES:	Cn1nnnc1NC(=O)c2ccc(cc2[S](C)(=O)=O)C(F)(F)F
InChi:	InChI=1S/C11H10F3N5O3S/c1-19-10(16-17-18-19)15-9(20)7-4-3-6(11(12,13)14)5-8(7)23(2,21)22/h3-5H,1-2H3,(H,15,16,18,20)
Definition date:	2022-03-14
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	2-methylsulfonyl-~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-4-(trifluoromethyl)benzamide

9WC

9WC
Name:	1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2,4-dione
Formula:	C22 H18 N2 O5
SMILES:	CN1C(=O)N(C(=O)c2cc(ccc12)C(=O)C3=C(O)CCCC3=O)c4ccccc4
InChi:	InChI=1S/C22H18N2O5/c1-23-16-11-10-13(20(27)19-17(25)8-5-9-18(19)26)12-15(16)21(28)24(22(23)29)14-6-3-2-4-7-14/h2-4,6-7,10-12,25H,5,8-9H2,1H3
Definition date:	2022-03-14
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2,4-dione

9XI

9XI
Name:	1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2,4-dione
Formula:	C23 H20 N2 O5
SMILES:	CN1C(=O)N(C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O)c4ccccc4
InChi:	InChI=1S/C23H20N2O5/c1-13-15(21(28)20-17(26)9-6-10-18(20)27)11-12-16-19(13)22(29)25(23(30)24(16)2)14-7-4-3-5-8-14/h3-5,7-8,11-12,26H,6,9-10H2,1-2H3
Definition date:	2022-03-14
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2,4-dione

9XU

9XU
Name:	1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)quinazoline-2,4-dione
Formula:	C24 H22 N2 O5
SMILES:	CN1C(=O)N(Cc2ccccc2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O
InChi:	InChI=1S/C24H22N2O5/c1-14-16(22(29)21-18(27)9-6-10-19(21)28)11-12-17-20(14)23(30)26(24(31)25(17)2)13-15-7-4-3-5-8-15/h3-5,7-8,11-12,27H,6,9-10,13H2,1-2H3
Definition date:	2022-03-14
Last modified:	2022-05-27
Release date:	2022-06-01
Identifier:	1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)quinazoline-2,4-dione

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