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B8Q
B8Q
Name:3-methyl, cytidine-5'-monophosphate
Formula:C10 H18 N3 O8 P
SMILES:CN1[CH](N)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O
InChi:InChI=1S/C10H18N3O8P/c1-12-6(11)2-3-13(10(12)16)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5-9,14-15H,4,11H2,1H3,(H2,17,18,19)/t5-,6+,7-,8-,9-/m1/s1
Definition date:2017-09-25
Last modified:2019-04-29
Identifier:[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-3-methyl-2-oxidanylidene-4~{H}-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
P4U
P4U
Name:4-propyl, uridine-5'-monophosphate
Formula:C12 H19 N2 O9 P
SMILES:CCCOC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
InChi:InChI=1S/C12H19N2O9P/c1-2-5-21-8-3-4-14(12(17)13-8)11-10(16)9(15)7(23-11)6-22-24(18,19)20/h3-4,7,9-11,15-16H,2,5-6H2,1H3,(H2,18,19,20)/t7-,9-,10-,11-/m1/s1
Definition date:2017-09-25
Last modified:2019-04-29
Release date:2018-01-24
Identifier:[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(2-oxidanylidene-4-propoxy-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
E7G
E7G
Name:7-ethyl, guanosine-5'-monophosphate
Formula:C12 H20 N5 O8 P
SMILES:CCN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N
InChi:InChI=1S/C12H20N5O8P/c1-2-16-4-17(9-6(16)10(20)15-12(13)14-9)11-8(19)7(18)5(25-11)3-24-26(21,22)23/h5,7-8,11,18-19H,2-4H2,1H3,(H2,21,22,23)(H3,13,14,15,20)/t5-,7-,8-,11-/m1/s1
Definition date:2017-09-25
Last modified:2019-04-29
Release date:2018-01-24
Identifier:[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-ethyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
FQ1
FQ1
Name:(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
Formula:C29 H38 F2 N2 O8 S
SMILES:c1(OC)ccc(cc1)S(=O)(N(CC(C(Cc2cc(cc(c2)F)F)NC(=O)OC3CCOC4OCCC34)O)CC(C)C)=O
InChi:InChI=1S/C29H38F2N2O8S/c1-18(2)16-33(42(36,37)23-6-4-22(38-3)5-7-23)17-26(34)25(14-19-12-20(30)15-21(31)13-19)32-29(35)41-27-9-11-40-28-24(27)8-10-39-28/h4-7,12-13,15,18,24-28,34H,8-11,14,16-17H2,1-3H3,(H,32,35)/t24-,25-,26+,27-,28+/m0/s1
Definition date:2018-04-11
Last modified:2019-04-26
Release date:2019-05-01
Identifier:(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
FQ4
FQ4
Name:(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
Formula:C29 H39 F N2 O8 S
SMILES:c1(OC)ccc(cc1)S(=O)(N(CC(C)C)CC(C(Cc2ccc(cc2)F)NC(=O)OC3CCOC4C3CCO4)O)=O
InChi:InChI=1S/C29H39FN2O8S/c1-19(2)17-32(41(35,36)23-10-8-22(37-3)9-11-23)18-26(33)25(16-20-4-6-21(30)7-5-20)31-29(34)40-27-13-15-39-28-24(27)12-14-38-28/h4-11,19,24-28,33H,12-18H2,1-3H3,(H,31,34)/t24-,25-,26+,27-,28+/m0/s1
Definition date:2018-04-11
Last modified:2019-04-26
Release date:2019-05-01
Identifier:(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
FWG
FWG
Name:cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
Formula:C21 H27 N3 O3 S
SMILES:C1CN(CCN1C(=O)C2CCCCCC2)S(=O)(=O)c4c3ccncc3ccc4
InChi:InChI=1S/C21H27N3O3S/c25-21(17-6-3-1-2-4-7-17)23-12-14-24(15-13-23)28(26,27)20-9-5-8-18-16-22-11-10-19(18)20/h5,8-11,16-17H,1-4,6-7,12-15H2
Definition date:2018-04-23
Last modified:2019-04-26
Release date:2019-05-01
Identifier:cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
FWJ
FWJ
Name:2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:C21 H20 F N3 O3 S
SMILES:C1CN(CCN1C(Cc2ccc(F)cc2)=O)S(c4c3ccncc3ccc4)(=O)=O
InChi:InChI=1S/C21H20FN3O3S/c22-18-6-4-16(5-7-18)14-21(26)24-10-12-25(13-11-24)29(27,28)20-3-1-2-17-15-23-9-8-19(17)20/h1-9,15H,10-14H2
Definition date:2018-04-23
Last modified:2019-04-26
Release date:2019-05-01
Identifier:2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
FWM
FWM
Name:2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:C21 H27 N3 O3 S
SMILES:C1CN(CCN1C(=O)CC2CCCCC2)S(=O)(=O)c4c3ccncc3ccc4
InChi:InChI=1S/C21H27N3O3S/c25-21(15-17-5-2-1-3-6-17)23-11-13-24(14-12-23)28(26,27)20-8-4-7-18-16-22-10-9-19(18)20/h4,7-10,16-17H,1-3,5-6,11-15H2
Definition date:2018-04-23
Last modified:2019-04-26
Release date:2019-05-01
Identifier:2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
FWP
FWP
Name:2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:C23 H25 N3 O5 S
SMILES:C1CN(CCN1C(Cc2c(cc(OC)cc2)OC)=O)S(=O)(=O)c4c3ccncc3ccc4
InChi:InChI=1S/C23H25N3O5S/c1-30-19-7-6-17(21(15-19)31-2)14-23(27)25-10-12-26(13-11-25)32(28,29)22-5-3-4-18-16-24-9-8-20(18)22/h3-9,15-16H,10-14H2,1-2H3
Definition date:2018-04-23
Last modified:2019-04-26
Release date:2019-05-01
Identifier:2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
FWS
FWS
Name:(2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide
Formula:C22 H22 N4 O5 S
SMILES:c15OCOc1ccc(NC(N2C(C)CN(CC2)S(c4c3ccncc3ccc4)(=O)=O)=O)c5
InChi:InChI=1S/C22H22N4O5S/c1-15-13-25(32(28,29)21-4-2-3-16-12-23-8-7-18(16)21)9-10-26(15)22(27)24-17-5-6-19-20(11-17)31-14-30-19/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,24,27)/t15-/m0/s1
Definition date:2018-04-23
Last modified:2019-04-26
Release date:2019-05-01
Identifier:(2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide
FWV
FWV
Name:N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide
Formula:C20 H18 Cl2 N4 O3 S
SMILES:C(=O)(Nc1cccc(Cl)c1Cl)N2CCN(CC2)S(c4c3ccncc3ccc4)(=O)=O
InChi:InChI=1S/C20H18Cl2N4O3S/c21-16-4-2-5-17(19(16)22)24-20(27)25-9-11-26(12-10-25)30(28,29)18-6-1-3-14-13-23-8-7-15(14)18/h1-8,13H,9-12H2,(H,24,27)
Definition date:2018-04-23
Last modified:2019-04-26
Release date:2019-05-01
Identifier:N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide
FWY
FWY
Name:hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium
Formula:C20 H19 N4 O5 S
SMILES:C(N1CCN(CC1)S(c2cccc3c2ccnc3)(=O)=O)(c4cccc([N+](O)=O)c4)=O
InChi:InChI=1S/C20H19N4O5S/c25-20(15-3-1-5-17(13-15)24(26)27)22-9-11-23(12-10-22)30(28,29)19-6-2-4-16-14-21-8-7-18(16)19/h1-8,13-14H,9-12H2,(H,26,27)/q+1
Definition date:2018-04-23
Last modified:2019-04-26
Release date:2019-05-01
Identifier:hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium
H7W
H7W
Name:(1~{S})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide
Formula:C21 H29 N3 O2
SMILES:C[CH]1N(C2CCN(CC2)C3CCCCC3)C(=O)c4c1cccc4C(N)=O
InChi:InChI=1S/C21H29N3O2/c1-14-17-8-5-9-18(20(22)25)19(17)21(26)24(14)16-10-12-23(13-11-16)15-6-3-2-4-7-15/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,22,25)/t14-/m0/s1
Definition date:2018-11-20
Last modified:2019-04-26
Release date:2019-05-01
Identifier:(1~{S})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide
H7Z
H7Z
Name:(1~{R})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide
Formula:C21 H29 N3 O2
SMILES:C[CH]1N(C2CCN(CC2)C3CCCCC3)C(=O)c4c1cccc4C(N)=O
InChi:InChI=1S/C21H29N3O2/c1-14-17-8-5-9-18(20(22)25)19(17)21(26)24(14)16-10-12-23(13-11-16)15-6-3-2-4-7-15/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,22,25)/t14-/m1/s1
Definition date:2018-11-21
Last modified:2019-04-26
Release date:2019-05-01
Identifier:(1~{R})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide
HZE
HZE
Name:5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide
Formula:C22 H24 F2 N4 O2
SMILES:CC(C)Oc1cc(ccc1c2c([nH]c3cc(F)c(F)cc23)C(N)=O)N4CCNCC4
InChi:InChI=1S/C22H24F2N4O2/c1-12(2)30-19-9-13(28-7-5-26-6-8-28)3-4-14(19)20-15-10-16(23)17(24)11-18(15)27-21(20)22(25)29/h3-4,9-12,26-27H,5-8H2,1-2H3,(H2,25,29)
Definition date:2019-01-08
Last modified:2019-04-26
Release date:2019-05-01
Identifier:5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide
HZK
HZK
Name:(3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)pyrrolidine-3-carboxamide
Formula:C21 H19 Cl F N3 O4
SMILES:O[C]1(CCN(C1=O)c2ccc3NC(=O)CCc3c2)C(=O)NCc4cc(F)cc(Cl)c4
InChi:InChI=1S/C21H19ClFN3O4/c22-14-7-12(8-15(23)10-14)11-24-19(28)21(30)5-6-26(20(21)29)16-2-3-17-13(9-16)1-4-18(27)25-17/h2-3,7-10,30H,1,4-6,11H2,(H,24,28)(H,25,27)/t21-/m0/s1
Definition date:2019-01-08
Last modified:2019-04-26
Release date:2019-05-01
Identifier:(3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)pyrrolidine-3-carboxamide
HZQ
HZQ
Name:5-chloranylquinolin-8-ol
Formula:C9 H6 Cl N O
SMILES:Oc1ccc(Cl)c2cccnc12
InChi:InChI=1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
Definition date:2019-01-08
Last modified:2019-04-26
Release date:2019-05-01
Identifier:5-chloranylquinolin-8-ol
HZT
HZT
Name:~{N}-[(4-fluorophenyl)methyl]-~{N}-(1~{H}-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
Formula:C14 H13 F N4 O2 S2
SMILES:Fc1ccc(CN(Cc2[nH]ncn2)[S](=O)(=O)c3sccc3)cc1
InChi:InChI=1S/C14H13FN4O2S2/c15-12-5-3-11(4-6-12)8-19(9-13-16-10-17-18-13)23(20,21)14-2-1-7-22-14/h1-7,10H,8-9H2,(H,16,17,18)
Definition date:2019-01-08
Last modified:2019-04-26
Release date:2019-05-01
Identifier:~{N}-[(4-fluorophenyl)methyl]-~{N}-(1~{H}-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
HZW
HZW
Name:(3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide
Formula:C18 H16 Cl F N2 O3
SMILES:O[C]1(CCN(C1=O)c2ccccc2)C(=O)NCc3cc(F)cc(Cl)c3
InChi:InChI=1S/C18H16ClFN2O3/c19-13-8-12(9-14(20)10-13)11-21-16(23)18(25)6-7-22(17(18)24)15-4-2-1-3-5-15/h1-5,8-10,25H,6-7,11H2,(H,21,23)/t18-/m0/s1
Definition date:2019-01-08
Last modified:2019-04-26
Release date:2019-05-01
Identifier:(3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide
HKJ
HKJ
Name:N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
Formula:C21 H21 F N6 O3 S
SMILES:c2(NC(c1ccc(cn1)F)C)ccc3c(n2)n(cc3S(C4COC4)(=O)=O)c5cc(C)nn5
InChi:InChI=1S/C21H21FN6O3S/c1-12-7-20(27-26-12)28-9-18(32(29,30)15-10-31-11-15)16-4-6-19(25-21(16)28)24-13(2)17-5-3-14(22)8-23-17/h3-9,13,15H,10-11H2,1-2H3,(H,24,25)(H,26,27)/t13-/m0/s1
Definition date:2018-07-09
Last modified:2019-04-26
Release date:2019-05-01
Identifier:N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
KKS
KKS
Name:3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one
Formula:C23 H17 N5 O2
SMILES:c5cc4cccc(CC=1C=C(O)C(NC=1c2ccc(cc2)c3nnnn3)=O)c4cc5
InChi:InChI=1S/C23H17N5O2/c29-20-13-18(12-17-6-3-5-14-4-1-2-7-19(14)17)21(24-23(20)30)15-8-10-16(11-9-15)22-25-27-28-26-22/h1-11,13,29H,12H2,(H,24,30)(H,25,26,27,28)
Definition date:2019-01-02
Last modified:2019-04-26
Release date:2019-05-01
Identifier:3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one
KKV
KKV
Name:4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid
Formula:C18 H12 F N O4
SMILES:O=C2C(O)=CC(c1ccc(cc1)C(=O)O)=C(N2)c3ccc(cc3)F
InChi:InChI=1S/C18H12FNO4/c19-13-7-5-11(6-8-13)16-14(9-15(21)17(22)20-16)10-1-3-12(4-2-10)18(23)24/h1-9,21H,(H,20,22)(H,23,24)
Definition date:2019-01-02
Last modified:2019-04-26
Release date:2019-05-01
Identifier:4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid
JRQ
JRQ
Name:ethyl 2-[(2~{R})-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate
Formula:C16 H22 N2 O3
SMILES:CCOC(=O)C[CH]1N(CCNC1=O)Cc2ccc(C)cc2
InChi:InChI=1S/C16H22N2O3/c1-3-21-15(19)10-14-16(20)17-8-9-18(14)11-13-6-4-12(2)5-7-13/h4-7,14H,3,8-11H2,1-2H3,(H,17,20)/t14-/m1/s1
Definition date:2019-03-22
Last modified:2019-04-26
Release date:2019-05-01
Identifier:ethyl 2-[(2~{R})-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate
LRM
LRM
Name:2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(S)-({(2R,3R,4R,5R)-3-{[(R)-{[(2R,3R,4R,5R)-3-{[(S)-{[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-{[(S)-hydroxy{[(2R,3R,4R,5R)-3-hydroxy-4-methoxy-5-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methoxy}phosphoryl]oxy}-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9H-purin-9-yl)-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-[6-(dimethylamino)-9H-purin-9-yl]-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-3H-purin-7-ium
Formula:C56 H79 N20 O38 P6
SMILES:CN(c1ncnc2n(cnc12)C6C(C(C(COP(OP(OP(OCC3C(O)C(O)C(O3)n5c4NC(N)=NC(c4[n+](c5)C)=O)(O)=O)(O)=O)(=O)O)O6)OP(=O)(O)OCC9C(C(C(n8cnc7c(N)ncnc78)O9)OC)OP(O)(OCC%11C(C(OC)C(N%10C(=O)N=C(N)C=C%10)O%11)OP(=O)(OCC%12OC(C(OC)C%12O)N%13C=CC(N(C%13=O)C)=O)O)=O)OC)C
InChi:InChI=1S/C56H78N20O38P6/c1-69(2)44-31-46(63-19-61-44)75(21-65-31)53-42(99-8)38(27(109-53)17-104-119(92,93)114-120(94,95)113-118(90,91)103-13-23-33(78)35(80)49(105-23)76-22-70(3)32-47(76)67-54(59)68-48(32)81)112-117(88,89)102-16-26-37(41(98-7)52(108-26)74-20-64-30-43(58)60-18-62-45(30)74)111-116(86,87)101-15-25-36(40(97-6)51(107-25)72-11-9-28(57)66-55(72)82)110-115(84,85)100-14-24-34(79)39(96-5)50(106-24)73-12-10-29(77)71(4)56(73)83/h9-12,18-27,33-42,49-53,78-80H,13-17H2,1-8H3,(H12-,57,58,59,60,62,66,67,68,81,82,84,85,86,87,88,89,90,91,92,93,94,95)/p+1/t23-,24-,25-,26-,27-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,49-,50-,51-,52-,53-/m1/s1
Definition date:2019-03-13
Last modified:2019-04-26
Release date:2019-05-01
Identifier:2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(S)-({(2R,3R,4R,5R)-3-{[(R)-{[(2R,3R,4R,5R)-3-{[(S)-{[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-{[(S)-hydroxy{[(2R,3R,4R,5R)-3-hydroxy-4-methoxy-5-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methoxy}phosphoryl]oxy}-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9H-purin-9-yl)-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-[6-(dimethylamino)-9H-purin-9-yl]-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-3H-purin-7-ium (non-preferred name)
LRP
LRP
Name:2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(R)-({(2R,3R,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-3-hydroxy-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium
Formula:C24 H36 N10 O17 P3
SMILES:n2c1c(ncnc1N(C)C)n(c2)C6OC(COP(=O)(O)OP(OP(O)(OCC3C(O)C(C(O3)n5c4N=C(N)NC(c4[n+](c5)C)=O)O)=O)(O)=O)C(C6OC)O
InChi:InChI=1S/C24H35N10O17P3/c1-31(2)18-12-19(27-7-26-18)33(8-28-12)23-17(45-4)15(36)11(49-23)6-47-53(41,42)51-54(43,44)50-52(39,40)46-5-10-14(35)16(37)22(48-10)34-9-32(3)13-20(34)29-24(25)30-21(13)38/h7-11,14-17,22-23,35-37H,5-6H2,1-4H3,(H5-,25,29,30,38,39,40,41,42,43,44)/p+1/t10-,11-,14-,15-,16-,17-,22-,23-/m1/s1
Definition date:2019-03-13
Last modified:2019-04-26
Release date:2019-05-01
Identifier:2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(R)-({(2R,3R,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-3-hydroxy-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium (non-preferred name)

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数据于2025-07-09公开中

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