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BDV
BDV
Name:1-butyl-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea
Formula:C21 H33 N5 O2
SMILES:CCCCNC(=O)NCc1ccc(CN2C(=N)N[C](C)(CC(C)C)C2=O)cc1
InChi:InChI=1S/C21H33N5O2/c1-5-6-11-23-20(28)24-13-16-7-9-17(10-8-16)14-26-18(27)21(4,12-15(2)3)25-19(26)22/h7-10,15H,5-6,11-14H2,1-4H3,(H2,22,25)(H2,23,24,28)/t21-/m1/s1
Definition date:2010-01-11
Last modified:2011-06-04
Identifier:1-butyl-3-[[4-[[(4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxo-imidazolidin-1-yl]methyl]phenyl]methyl]urea
BDW
BDW
Name:(4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one
Formula:C32 H49 N5 O2
SMILES:CCC[CH]1CN(Cc2ccc(CN3C(=N)N[C](CCC4CCCCC4)(CC5CCCCC5)C3=O)cc2)C(=O)N1
InChi:InChI=1S/C32H49N5O2/c1-2-9-28-23-36(31(39)34-28)21-26-14-16-27(17-15-26)22-37-29(38)32(35-30(37)33,20-25-12-7-4-8-13-25)19-18-24-10-5-3-6-11-24/h14-17,24-25,28H,2-13,18-23H2,1H3,(H2,33,35)(H,34,39)/t28-,32+/m0/s1
Definition date:2010-01-11
Last modified:2011-06-04
Identifier:(5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-[[4-[[(4S)-2-oxo-4-propyl-imidazolidin-1-yl]methyl]phenyl]methyl]imidazolidin-4-one
BDX
BDX
Name:(2E,5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one
Formula:C19 H33 N3 O
SMILES:CN1C(=N)N[C](CCC2CCCCC2)(CC3CCCCC3)C1=O
InChi:InChI=1S/C19H33N3O/c1-22-17(23)19(21-18(22)20,14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h15-16H,2-14H2,1H3,(H2,20,21)/t19-/m1/s1
Definition date:2010-01-11
Last modified:2011-06-04
Identifier:(5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methyl-imidazolidin-4-one
BDY
BDY
Name:N~3~-(2,6-dichlorobenzyl)-5-(4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}phenyl)pyrazine-2,3-diamine
Formula:C27 H30 Cl2 N6 O
SMILES:Nc1ncc(nc1NCc2c(Cl)cccc2Cl)c3ccc(cc3)C(=O)N4CCC[CH]4CN5CCCC5
InChi:InChI=1S/C27H30Cl2N6O/c28-22-6-3-7-23(29)21(22)15-32-26-25(30)31-16-24(33-26)18-8-10-19(11-9-18)27(36)35-14-4-5-20(35)17-34-12-1-2-13-34/h3,6-11,16,20H,1-2,4-5,12-15,17H2,(H2,30,31)(H,32,33)/t20-/m1/s1
Definition date:2010-01-20
Last modified:2011-06-04
Identifier:[4-[5-azanyl-6-[(2,6-dichlorophenyl)methylamino]pyrazin-2-yl]phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
BE0
BE0
Name:piperidine-1-sulfonamide
Formula:C5 H12 N2 O2 S
SMILES:O=S(=O)(N)N1CCCCC1
InChi:InChI=1S/C5H12N2O2S/c6-10(8,9)7-4-2-1-3-5-7/h1-5H2,(H2,6,8,9)
Definition date:2010-03-11
Last modified:2011-06-04
Identifier:piperidine-1-sulfonamide
BE9
BE9
Name:phenyl N-sulfamoylmorpholine-4-carboximidoate
Formula:C11 H15 N3 O4 S
SMILES:O=S(=O)(/N=C(Oc1ccccc1)N2CCOCC2)N
InChi:InChI=1S/C11H15N3O4S/c12-19(15,16)13-11(14-6-8-17-9-7-14)18-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,12,15,16)/b13-11-
Definition date:2010-03-09
Last modified:2011-06-04
Identifier:phenyl N-sulfamoylmorpholine-4-carboximidoate
BEK
BEK
Name:2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDE
Formula:C8 H5 F4 N O2
SMILES:Fc1c(F)c(c(F)c(F)c1OC)C(=O)N
InChi:InChI=1S/C8H5F4NO2/c1-15-7-5(11)3(9)2(8(13)14)4(10)6(7)12/h1H3,(H2,13,14)
Definition date:2001-12-13
Last modified:2011-06-04
Identifier:2,3,5,6-tetrafluoro-4-methoxybenzamide
BEL
BEL
Name:2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]-N-(2',3'-DIOXOPROPYL)BENZAMIDE
Formula:C14 H14 Br2 N4 O7
SMILES:O=CC(=O)CNC(=O)c1cc(N(CCBr)CCBr)c(cc1[N+]([O-])=O)[N+]([O-])=O
InChi:InChI=1S/C14H14Br2N4O7/c15-1-3-18(4-2-16)12-5-10(14(23)17-7-9(22)8-21)11(19(24)25)6-13(12)20(26)27/h5-6,8H,1-4,7H2,(H,17,23)
Definition date:2003-03-10
Last modified:2011-06-04
Identifier:5-[bis(2-bromoethyl)amino]-N-(2,3-dioxopropyl)-2,4-dinitrobenzamide
BEN
BEN
Name:BENZAMIDINE
Formula:C7 H8 N2
SMILES:[N@H]=C(N)c1ccccc1
InChi:InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:benzenecarboximidamide
BEO
BEO
Name:BUTENOIC ACID
Formula:C4 H6 O2
SMILES:O=C(O)/C=C/C
InChi:InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2E)-but-2-enoic acid
BER
BER
Name:BERBERINE
Formula:C20 H18 N O4
SMILES:O1c2c(OC1)cc5c(c2)c4cc3ccc(OC)c(OC)c3c[n+]4CC5
InChi:InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
Definition date:2001-09-12
Last modified:2011-06-04
Identifier:9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium
BEV
BEV
Name:N-[(2Z)-1,3-thiazolidin-2-ylidene]sulfamide
Formula:C3 H7 N3 O2 S2
SMILES:O=S(=O)(/N=C1SCCN1)N
InChi:InChI=1S/C3H7N3O2S2/c4-10(7,8)6-3-5-1-2-9-3/h1-2H2,(H,5,6)(H2,4,7,8)
Definition date:2010-03-11
Last modified:2011-06-04
Identifier:N-[(2Z)-1,3-thiazolidin-2-ylidene]sulfuric diamide
BEW
BEW
Name:1-hydroxy-2-sulfanylpyridinium
Formula:C5 H6 N O S
SMILES:O[n+]1ccccc1S
InChi:InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,7H/p+1
Definition date:2010-03-11
Last modified:2011-06-04
Identifier:1-hydroxy-2-sulfanylpyridinium
BEX
BEX
Name:N-[(R)-[(3,4-dimethoxyphenyl)amino](phenoxy)methyl]sulfamide
Formula:C15 H19 N3 O5 S
SMILES:O=S(=O)(N)NC(Oc1ccccc1)Nc2cc(OC)c(OC)cc2
InChi:InChI=1S/C15H19N3O5S/c1-21-13-9-8-11(10-14(13)22-2)17-15(18-24(16,19)20)23-12-6-4-3-5-7-12/h3-10,15,17-18H,1-2H3,(H2,16,19,20)/t15-/m1/s1
Definition date:2010-03-11
Last modified:2011-06-04
Identifier:N-[(R)-[(3,4-dimethoxyphenyl)amino](phenoxy)methyl]sulfuric diamide
UA1
UA1
Name:N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE
Formula:C24 H32 N4 O8 S
SMILES:O=S(=O)(O)Nc1ccc(cc1)CC(C(=O)NC)NC(=O)C(NC(=O)OC(C)(C)C)Cc2ccc(O)cc2
InChi:InChI=1S/C24H32N4O8S/c1-24(2,3)36-23(32)27-20(14-16-7-11-18(29)12-8-16)22(31)26-19(21(30)25-4)13-15-5-9-17(10-6-15)28-37(33,34)35/h5-12,19-20,28-29H,13-14H2,1-4H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34,35)/t19-,20-/m0/s1
Definition date:2006-08-23
Last modified:2011-06-04
Identifier:N-(tert-butoxycarbonyl)-L-tyrosyl-N-methyl-4-(sulfoamino)-L-phenylalaninamide
BEY
BEY
Name:(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
Formula:C19 H24 N O4 P
SMILES:O=C(O)C(Cc1ccccc1)CP(=O)(O)C(N)CCc2ccccc2
InChi:InChI=1S/C19H24NO4P/c20-18(12-11-15-7-3-1-4-8-15)25(23,24)14-17(19(21)22)13-16-9-5-2-6-10-16/h1-10,17-18H,11-14,20H2,(H,21,22)(H,23,24)/t17-,18+/m1/s1
Definition date:2008-09-16
Last modified:2011-06-04
Identifier:(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
UA4
UA4
Name:(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE
Formula:C25 H27 F2 N5 O3
SMILES:Fc1cc(cc(F)c1)C4(Oc3ccc(c2c(nc(nc2N)N)CC)cc3N(C4=O)CCCOC)C
InChi:InChI=1S/C25H27F2N5O3/c1-4-18-21(22(28)31-24(29)30-18)14-6-7-20-19(10-14)32(8-5-9-34-3)23(33)25(2,35-20)15-11-16(26)13-17(27)12-15/h6-7,10-13H,4-5,8-9H2,1-3H3,(H4,28,29,30,31)/t25-/m0/s1
Definition date:2006-08-23
Last modified:2011-06-04
Identifier:(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one
UA5
UA5
Name:(4-ETHYLPHENYL)SULFAMIC ACID
Formula:C8 H11 N O3 S
SMILES:O=S(=O)(O)Nc1ccc(cc1)CC
InChi:InChI=1S/C8H11NO3S/c1-2-7-3-5-8(6-4-7)9-13(10,11)12/h3-6,9H,2H2,1H3,(H,10,11,12)
Definition date:2006-08-28
Last modified:2011-06-04
Identifier:(4-ethylphenyl)sulfamic acid
BF2
BF2
Name:BERYLLIUM DIFLUORIDE
Formula:Be F2
SMILES:F[Be]F
InChi:InChI=1S/Be.2FH/h
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:beryllium difluoride
BF4
BF4
Name:BERYLLIUM TETRAFLUORIDE ION
Formula:Be F4
SMILES:F[Be-2](F)(F)F
InChi:InChI=1S/Be.4FH/h
Definition date:2002-03-20
Last modified:2011-06-04
Identifier:tetrafluoroberyllate(2-)
BF5
BF5
Name:(3S)-10-(4-AMINOPIPERAZIN-1-YL)-9-FLUORO-7-HYDROXY-3-METHYL-2,3-DIHYDRO-8H-[1,4]OXAZINO[2,3,4-IJ]QUINOLINE-6-CARBOXYLATE
Formula:C17 H19 F N4 O4
SMILES:[O-]C(=O)C=1C(O)=C4C=2N(C=1)C(COC=2C(N3CCN(N)CC3)=C(F)C4)C
InChi:InChI=1S/C17H21FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h7,9,23H,2-6,8,19H2,1H3,(H,24,25)/p-1/t9-/m0/s1
Definition date:2010-06-08
Last modified:2011-06-04
Identifier:(3S)-10-(4-aminopiperazin-1-yl)-9-fluoro-7-hydroxy-3-methyl-2,3-dihydro-8H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate
UAD
UAD
Name:[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate
Formula:C14 H22 N2 O16 P2
SMILES:O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OCC(O)C(O)C3O)O)O
InChi:InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6+,8-,9+,10+,11+,12+,13-/m0/s1
Definition date:2010-08-24
Last modified:2011-06-04
Identifier:[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
BFA
BFA
Name:9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2-DIMETHYLAMINO-ETHYL)-AMIDE
Formula:C17 H17 Br N4 O
SMILES:O=C(NCCN(C)C)c2c1nc3c(nc1ccc2)cccc3Br
InChi:InChI=1S/C17H17BrN4O/c1-22(2)10-9-19-17(23)11-5-3-7-13-15(11)21-16-12(18)6-4-8-14(16)20-13/h3-8H,9-10H2,1-2H3,(H,19,23)
Definition date:2000-02-22
Last modified:2011-06-04
Identifier:9-bromo-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide
BFC
BFC
Name:(R)-3-HYDROXYTETRADECANAL
Formula:C14 H28 O2
SMILES:O=CCC(O)CCCCCCCCCCC
InChi:InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h13-14,16H,2-12H2,1H3/t14-/m1/s1
Definition date:2006-11-02
Last modified:2011-06-04
Identifier:(3R)-3-hydroxytetradecanal
UAG
UAG
Name:URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE-D-GLUTAMATE
Formula:C28 H43 N5 O23 P2
SMILES:O=P(OC1OC(C(O)C(OC(C(=O)NC(C(=O)NC(C(=O)O)CCC(=O)O)C)C)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:InChI=1S/C28H43N5O23P2/c1-10(23(42)31-13(26(44)45)4-5-17(37)38)29-24(43)11(2)52-22-18(30-12(3)35)27(54-14(8-34)20(22)40)55-58(49,50)56-57(47,48)51-9-15-19(39)21(41)25(53-15)33-7-6-16(36)32-28(33)46/h6-7,10-11,13-15,18-22,25,27,34,39-41H,4-5,8-9H2,1-3H3,(H,29,43)(H,30,35)(H,31,42)(H,37,38)(H,44,45)(H,47,48)(H,49,50)(H,32,36,46)/t10-,11+,13+,14+,15+,18+,19+,20+,21+,22+,25+,27+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2R)-2-{[(2S)-2-{[(2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}pentanedioic acid (non-preferred name)

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