CAS RN: 35902-09-1
CAS Name: (E,4R,5S)-1,4,5-trihydroxy-3-oxo-1-hexen-1-olate
OPENEYE Name: (E,4R,5S)-1,4,5-trihydroxy-3-oxo-hex-1-en-1-olate
IUPAC Name: (E,4R,5S)-1,4,5-trihydroxy-3-oxohex-1-en-1-olate
SYSTEMATIC NAME: (E,4R,5S)-1,4,5-tris(oxidanyl)-3-oxidanylidene-hex-1-en-1-olate
MOLECULAR FORMULA: C6H9O5-
MOLECULAR WEIGHT: 161.13266
SMILES: C[C@@H]([C@H](C(=O)/C=C(/O)\[O-])O)O
Structure:
CAS RN: 16751-02-3
CAS Name: [[(2Z)-3,7-dimethylocta-2,6-dienoxy]-oxidophosphoryl] phosphate
OPENEYE Name: [[(2Z)-3,7-dimethylocta-2,6-dienoxy]-oxido-phosphoryl] phosphate
IUPAC Name: [[(2Z)-3,7-dimethylocta-2,6-dienoxy]-oxidophosphoryl] phosphate
SYSTEMATIC NAME: [[(2Z)-3,7-dimethylocta-2,6-dienoxy]-oxidanidyl-phosphoryl] phosphate
MOLECULAR FORMULA: C10H17O7P2-3
MOLECULAR WEIGHT: 311.185302
SMILES: CC(=CCC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)C
Structure:
CAS RN: 4919-03-3
CAS Name: 1H-imidazol-3-ium-5-amine
OPENEYE Name: 1H-imidazol-3-ium-5-amine
IUPAC Name: 1H-imidazol-3-ium-5-amine
SYSTEMATIC NAME: 1H-imidazol-3-ium-5-amine
MOLECULAR FORMULA: C3H6N3+
MOLECULAR WEIGHT: 84.09984
SMILES: C1=C(NC=[NH+]1)N
Structure:
CAS RN: 102783-74-4
CAS Name: [[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-oxidophosphoryl] phosphate
OPENEYE Name: [[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate
IUPAC Name: [[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate
SYSTEMATIC NAME: [[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate
MOLECULAR FORMULA: C10H12N5O10P2-3
MOLECULAR WEIGHT: 424.177302
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)([O-])OP(=O)([O-])[O-])O
Structure:
CAS RN: 31282-07-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H32N2O8
MOLECULAR WEIGHT: 512.55158
SMILES: CC=C1[C@H]2C[C@H]3C4=NC5=CC=CC=C5C46C[C@@H](C2[C@H]6OC(=O)C)N3[C@@H]1O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
Structure:
CAS RN: 820-11-1
CAS Name: (2R)-2-hydroxy-3-phosphonatooxypropanoate
OPENEYE Name: (2R)-2-hydroxy-3-phosphonatooxy-propanoate
IUPAC Name: (2R)-2-hydroxy-3-phosphonatooxypropanoate
SYSTEMATIC NAME: (2R)-2-oxidanyl-3-phosphonatooxy-propanoate
MOLECULAR FORMULA: C3H4O7P-3
MOLECULAR WEIGHT: 183.033421
SMILES: C([C@H](C(=O)[O-])O)OP(=O)([O-])[O-]
Structure:
CAS RN: 66638-22-0
CAS Name: 3-acetyloxy-2-ammoniopropanoate
OPENEYE Name: 3-acetoxy-2-azaniumyl-propanoate
IUPAC Name: 3-acetyloxy-2-azaniumylpropanoate
SYSTEMATIC NAME: 3-acetyloxy-2-azaniumyl-propanoate
MOLECULAR FORMULA: C5H9NO4
MOLECULAR WEIGHT: 147.12926
SMILES: CC(=O)OCC(C(=O)[O-])[NH3+]
Structure:
CAS RN: 20298-95-7
CAS Name: [(1R,2R,4R,5S)-3-hydroxy-2,4,5,6-tetraphosphonatooxycyclohexyl] phosphate
OPENEYE Name: [(1R,2R,4R,5S)-3-hydroxy-2,4,5,6-tetraphosphonatooxy-cyclohexyl] phosphate
IUPAC Name: [(1R,2R,4R,5S)-3-hydroxy-2,4,5,6-tetraphosphonatooxycyclohexyl] phosphate
SYSTEMATIC NAME: [(1R,2R,4R,5S)-3-oxidanyl-2,4,5,6-tetraphosphonatooxy-cyclohexyl] phosphate
MOLECULAR FORMULA: C6H7O21P5-10
MOLECULAR WEIGHT: 569.975985
SMILES: [C@@H]1([C@H](C([C@H]([C@@H](C1O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-]
Structure:
CAS RN: 26605-36-7
CAS Name: (6S)-2-ammonio-6-[(3-carboxylato-1-oxopropyl)amino]heptanedioate
OPENEYE Name: (6S)-2-azaniumyl-6-(3-carboxylatopropanoylamino)heptanedioate
IUPAC Name: (6S)-2-azaniumyl-6-(3-carboxylatopropanoylamino)heptanedioate
SYSTEMATIC NAME: (6S)-2-azaniumyl-6-[(4-oxidanidyl-4-oxidanylidene-butanoyl)amino]heptanedioate
MOLECULAR FORMULA: C11H16N2O7-2
MOLECULAR WEIGHT: 288.25394
SMILES: C(C[C@@H](C(=O)[O-])NC(=O)CCC(=O)[O-])CC(C(=O)[O-])[NH3+]
Structure:
CAS RN: 1157-60-4
CAS Name: [(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-2-oxolanyl]methyl phosphate
OPENEYE Name: [(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
IUPAC Name: [(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5S)-5-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
MOLECULAR FORMULA: C9H11N2O9P-2
MOLECULAR WEIGHT: 322.165401
SMILES: C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O
Structure:
CAS RN: 4390-05-0
CAS Name: 4-oxobutylammonium
OPENEYE Name: 4-oxobutylammonium
IUPAC Name: 4-oxobutylazanium
SYSTEMATIC NAME: 4-oxidanylidenebutylazanium
MOLECULAR FORMULA: C4H10NO+
MOLECULAR WEIGHT: 88.1283
SMILES: C(CC=O)C[NH3+]
Structure:
CAS RN: 97380-32-0
CAS Name: (2S,4R)-4-(hydroxymethyl)-6-(4-nitroanilino)cyclohexane-1,2,3-triol
OPENEYE Name: (2S,4R)-4-(hydroxymethyl)-6-(4-nitroanilino)cyclohexane-1,2,3-triol
IUPAC Name: (2S,4R)-4-(hydroxymethyl)-6-(4-nitroanilino)cyclohexane-1,2,3-triol
SYSTEMATIC NAME: (2S,4R)-4-(hydroxymethyl)-6-[(4-nitrophenyl)amino]cyclohexane-1,2,3-triol
MOLECULAR FORMULA: C13H18N2O6
MOLECULAR WEIGHT: 298.29182
SMILES: C1[C@@H](C([C@@H](C(C1NC2=CC=C(C=C2)[N+](=O)[O-])O)O)O)CO
Structure:
CAS RN: 49637-60-7
CAS Name: (5Z)-3-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-2-furanolate
OPENEYE Name: (5Z)-3-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylene]-4-oxo-furan-2-olate
IUPAC Name: (5Z)-3-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]-4-oxofuran-2-olate
SYSTEMATIC NAME: (5Z)-3-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]-4-oxidanylidene-furan-2-olate
MOLECULAR FORMULA: C17H11O5-
MOLECULAR WEIGHT: 295.26624
SMILES: C1=CC(=CC=C1/C=C\2/C(=O)C(=C(O2)[O-])C3=CC=C(C=C3)O)O
Structure:
CAS RN: 102680-35-3
CAS Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-[[(E)-1-oxobut-2-enyl]thio]ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-3-oxolanyl] phosphate
OPENEYE Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[4-[[3-[2-[(E)-but-2-enoyl]sulfanylethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] phosphate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[4-[[3-[2-[(E)-but-2-enoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[4-[[3-[2-[(E)-but-2-enoyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butoxy]-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] phosp
MOLECULAR FORMULA: C25H36N7O17P3S-4
MOLECULAR WEIGHT: 831.576323
SMILES: C/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O
Structure:
CAS RN: 25679-93-0
CAS Name: [2-ammonio-3-(1H-imidazol-5-yl)propyl] phosphate
OPENEYE Name: [2-azaniumyl-3-(1H-imidazol-5-yl)propyl] phosphate
IUPAC Name: [2-azaniumyl-3-(1H-imidazol-5-yl)propyl] phosphate
SYSTEMATIC NAME: [2-azaniumyl-3-(1H-imidazol-5-yl)propyl] phosphate
MOLECULAR FORMULA: C6H11N3O4P-
MOLECULAR WEIGHT: 220.143001
SMILES: C1=C(NC=N1)CC(COP(=O)([O-])[O-])[NH3+]
Structure:
CAS RN: 480-20-6
CAS Name: (2R,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-olate
OPENEYE Name: (2R,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chroman-5-olate
IUPAC Name: (2R,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-5-olate
SYSTEMATIC NAME: (2R,3R)-2-(4-hydroxyphenyl)-3,7-bis(oxidanyl)-4-oxidanylidene-2,3-dihydrochromen-5-olate
MOLECULAR FORMULA: C15H11O6-
MOLECULAR WEIGHT: 287.24424
SMILES: C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(O2)C=C(C=C3[O-])O)O)O
Structure:
CAS RN: 32780-32-8
CAS Name: [(3S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]ammonium
OPENEYE Name: [(3S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]ammonium
IUPAC Name: [(3S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]azanium
SYSTEMATIC NAME: [(3S,5R)-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]azanium
MOLECULAR FORMULA: C7H16NO4+
MOLECULAR WEIGHT: 178.20624
SMILES: C1[C@@H](C([C@@H](C(C1[NH3+])O)O)O)CO
Structure:
CAS RN: 469-38-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H50O
MOLECULAR WEIGHT: 426.7174
SMILES: C[C@H](CCC=C(C)C)C1CC[C@@]2([C@@]1(CCC34C2CC[C@@H]5C3(C4)CC[C@@H](C5(C)C)O)C)C
Structure:
CAS RN: 533-48-2
CAS Name: 6-(5-methyl-2-oxo-4-imidazolidinyl)hexanoate
OPENEYE Name: 6-(5-methyl-2-oxo-imidazolidin-4-yl)hexanoate
IUPAC Name: 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate
SYSTEMATIC NAME: 6-(5-methyl-2-oxidanylidene-imidazolidin-4-yl)hexanoate
MOLECULAR FORMULA: C10H17N2O3-
MOLECULAR WEIGHT: 213.25358
SMILES: CC1C(NC(=O)N1)CCCCCC(=O)[O-]
Structure:
CAS RN: 1910-41-4
CAS Name: [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] [5-(7,8-dimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] phosphate
OPENEYE Name: [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [5-(7,8-dimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] phosphate
IUPAC Name: [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [5-(7,8-dimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] phosphate
SYSTEMATIC NAME: [[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [5-[7,8-dimethyl-2,4-bis(oxidanylidene)-1,5-dihydrobenzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] phosphate
MOLECULAR FORMULA: C27H33N9O15P2-2
MOLECULAR WEIGHT: 785.549742
SMILES: CC1=CC2=C(C=C1C)N(C3=C(N2)C(=O)NC(=O)N3)CC(C(C(COP(=O)([O-])OP(=O)([O-])OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O
Structure:
CAS RN: 137681-56-2
CAS Name: (1S,3S,4S,5R,6R,7R)-1-(4-acetyloxy-5-methyl-6-phenylhexyl)-4,7-dihydroxy-6-[(E)-6-methyl-1-oxo-9-phenylnon-4-enoxy]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate
OPENEYE Name: (1S,3S,4S,5R,6R,7R)-1-(4-acetoxy-5-methyl-6-phenyl-hexyl)-4,7-dihydroxy-6-[(E)-6-methyl-9-phenyl-non-4-enoyl]oxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate
IUPAC Name: (1S,3S,4S,5R,6R,7R)-1-(4-acetyloxy-5-methyl-6-phenylhexyl)-4,7-dihydroxy-6-[(E)-6-methyl-9-phenylnon-4-enoyl]oxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate
SYSTEMATIC NAME: (1S,3S,4S,5R,6R,7R)-1-(4-acetyloxy-5-methyl-6-phenyl-hexyl)-6-[(E)-6-methyl-9-phenyl-non-4-enoyl]oxy-4,7-bis(oxidanyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate
MOLECULAR FORMULA: C40H47O14-3
MOLECULAR WEIGHT: 751.79278
SMILES: CC(CCCC1=CC=CC=C1)/C=C/CCC(=O)O[C@@H]2[C@H]([C@]3(O[C@@H]([C@]([C@@]2(O3)C(=O)[O-])(C(=O)[O-])O)C(=O)[O-])CCCC(C(C)CC4=CC=CC=C4)OC(=O)C)O
Structure:
CAS RN: 111844-33-8
CAS Name: (5S,6R,7E,9E,11Z,14Z)-6-[[(2R)-2-ammonio-2-carboxylatoethyl]thio]-5,20-dihydroxyeicosa-7,9,11,14-tetraenoate
OPENEYE Name: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-azaniumyl-2-carboxylato-ethyl]sulfanyl-5,20-dihydroxy-icosa-7,9,11,14-tetraenoate
IUPAC Name: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl-5,20-dihydroxyicosa-7,9,11,14-tetraenoate
SYSTEMATIC NAME: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-azaniumyl-3-oxidanidyl-3-oxidanylidene-propyl]sulfanyl-5,20-bis(oxidanyl)icosa-7,9,11,14-tetraenoate
MOLECULAR FORMULA: C23H36NO6S-
MOLECULAR WEIGHT: 454.60004
SMILES: C(CC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)[O-])O)SC[C@@H](C(=O)[O-])[NH3+])CCO
Structure:
CAS RN: 6247-62-7
CAS Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-[[3-[2-[[(E)-2-methyl-1-oxobut-2-enyl]thio]ethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-3-oxolanyl] phosphate
OPENEYE Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-[[3-[2-[(E)-2-methylbut-2-enoyl]sulfanylethylamino]-3-oxo-propyl]amino]-4-oxo-butoxy]-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-[[3-[2-[(E)-2-methylbut-2-enoyl]sulfanylethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[2,2-dimethyl-4-[[3-[2-[(E)-2-methylbut-2-enoyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butoxy]-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-y
MOLECULAR FORMULA: C26H38N7O17P3S-4
MOLECULAR WEIGHT: 845.602903
SMILES: C/C=C(\C)/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O
Structure:
CAS RN: 26441-05-4
CAS Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-[(E)-3-oxooct-1-enyl]cyclopentyl]-5-heptenoate
OPENEYE Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-[(E)-3-oxooct-1-enyl]cyclopentyl]hept-5-enoate
IUPAC Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-[(E)-3-oxooct-1-enyl]cyclopentyl]hept-5-enoate
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R)-3-oxidanyl-5-oxidanylidene-2-[(E)-3-oxidanylideneoct-1-enyl]cyclopentyl]hept-5-enoate
MOLECULAR FORMULA: C20H29O5-
MOLECULAR WEIGHT: 349.44126
SMILES: CCCCCC(=O)/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-])O
Structure:
CAS RN: 2140-49-0
CAS Name: (1E,3Z)-1,3-dihydroxy-5-oxo-1-hexa-1,3-dienolate
OPENEYE Name: (1E,3Z)-1,3-dihydroxy-5-oxo-hexa-1,3-dien-1-olate
IUPAC Name: (1E,3Z)-1,3-dihydroxy-5-oxohexa-1,3-dien-1-olate
SYSTEMATIC NAME: (1E,3Z)-1,3-bis(oxidanyl)-5-oxidanylidene-hexa-1,3-dien-1-olate
MOLECULAR FORMULA: C6H7O4-
MOLECULAR WEIGHT: 143.11738
SMILES: CC(=O)/C=C(/C=C(/O)\[O-])\O
Structure:
CAS RN: 2056-98-6
CAS Name: [[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
OPENEYE Name: [[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate
IUPAC Name: [[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
SYSTEMATIC NAME: [[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate
MOLECULAR FORMULA: C9H12N3O13P3-4
MOLECULAR WEIGHT: 463.125163
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O
Structure:
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