CAS RN: 82050-10-0
CAS Name: 3-(trideuteriomethyl)-2-imidazo[4,5-f]quinolinamine
OPENEYE Name: 3-(trideuteriomethyl)imidazo[4,5-f]quinolin-2-amine
IUPAC Name: 3-(trideuteriomethyl)imidazo[4,5-f]quinolin-2-amine
SYSTEMATIC NAME: 3-(trideuteriomethyl)imidazo[4,5-f]quinolin-2-amine
MOLECULAR FORMULA: C11H10N4
MOLECULAR WEIGHT: 201.242385
SMILES: [2H]C([2H])([2H])N1C2=C(C3=C(C=C2)N=CC=C3)N=C1N
Structure:
CAS RN: 32781-74-1
CAS Name: (3E)-6-[(2,3-dibromo-1-oxopropyl)amino]-3-[[5-[(2,3-dibromo-1-oxopropyl)amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid
OPENEYE Name: (3E)-6-(2,3-dibromopropanoylamino)-3-[[5-(2,3-dibromopropanoylamino)-2-sulfo-phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonic acid
IUPAC Name: (3E)-6-(2,3-dibromopropanoylamino)-3-[[5-(2,3-dibromopropanoylamino)-2-sulfophenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid
SYSTEMATIC NAME: (3E)-6-[2,3-bis(bromanyl)propanoylamino]-3-[[5-[2,3-bis(bromanyl)propanoylamino]-2-sulfo-phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C22H18Br4N4O9S2
MOLECULAR WEIGHT: 866.14572
SMILES: C1=CC2=C(C=C1NC(=O)C(CBr)Br)C(=O)/C(=N\NC3=C(C=CC(=C3)NC(=O)C(CBr)Br)S(=O)(=O)O)/C(=C2)S(=O)(=O)O
Structure:
CAS RN: 81103-79-9
CAS Name: 1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene
OPENEYE Name: 1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene
IUPAC Name: 1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene
SYSTEMATIC NAME: 1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene
MOLECULAR FORMULA: C13H10
MOLECULAR WEIGHT: 176.280118
SMILES: [2H]C1=C(C(=C2C(=C1[2H])C3=C(C(=C(C(=C3C2([2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]
Structure:
CAS RN: 80604-52-0
CAS Name: 3-[(2R)-1-methyl-4,4-ditritio-2-pyrrolidinyl]pyridine
OPENEYE Name: 3-[(2R)-1-methyl-4,4-ditritio-pyrrolidin-2-yl]pyridine
IUPAC Name: 3-[(2R)-1-methyl-4,4-ditritiopyrrolidin-2-yl]pyridine
SYSTEMATIC NAME: 3-[(2R)-1-methyl-4,4-ditritio-pyrrolidin-2-yl]pyridine
MOLECULAR FORMULA: C10H14N2
MOLECULAR WEIGHT: 166.247779
SMILES: [3H]C1(C[C@@H](N(C1)C)C2=CN=CC=C2)[3H]
Structure:
CAS RN: 80875-87-2
CAS Name: [[(2R,3S)-5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
OPENEYE Name: [[(2R,3S)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinothioyl] phosphono hydrogen phosphate
IUPAC Name: [[(2R,3S)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphinothioyl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H16N5O11P3S
MOLECULAR WEIGHT: 507.247223
SMILES: C1[C@@H]([C@H](OC1N2C=NC3=C2N=CN=C3N)COP(=S)(O)OP(=O)(O)OP(=O)(O)O)O
Structure:
CAS RN: 73756-06-6
CAS Name: (2S)-2-[[[4-[[(2-amino-4-oxo-7-tritio-1H-pteridin-6-yl)-tritiomethyl]amino]-3,5-ditritiophenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[[(2-amino-4-oxo-7-tritio-1H-pteridin-6-yl)-tritio-methyl]amino]-3,5-ditritio-benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[[(2-amino-4-oxo-7-tritio-1H-pteridin-6-yl)-tritiomethyl]amino]-3,5-ditritiobenzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[[(2-azanyl-4-oxidanylidene-7-tritio-1H-pteridin-6-yl)-tritio-methyl]amino]-3,5-ditritio-phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C19H19N7O6
MOLECULAR WEIGHT: 449.429897
SMILES: [3H]C1=CC(=CC(=C1NC([3H])C2=C(N=C3C(=N2)C(=O)N=C(N3)N)[3H])[3H])C(=O)N[C@@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 71111-08-5
CAS Name: 4-(trideuteriomethyl)benzene-1,3-diamine
OPENEYE Name: 4-(trideuteriomethyl)benzene-1,3-diamine
IUPAC Name: 4-(trideuteriomethyl)benzene-1,3-diamine
SYSTEMATIC NAME: 4-(trideuteriomethyl)benzene-1,3-diamine
MOLECULAR FORMULA: C7H10N2
MOLECULAR WEIGHT: 125.186185
SMILES: [2H]C([2H])([2H])C1=C(C=C(C=C1)N)N
Structure:
CAS RN: 457652-80-1
CAS Name: 2-(2,4,6-trideuteriophenyl)phenol
OPENEYE Name: 2-(2,4,6-trideuteriophenyl)phenol
IUPAC Name: 2-(2,4,6-trideuteriophenyl)phenol
SYSTEMATIC NAME: 2-(2,4,6-trideuteriophenyl)phenol
MOLECULAR FORMULA: C12H10O
MOLECULAR WEIGHT: 173.225685
SMILES: [2H]C1=CC(=C(C(=C1)[2H])C2=CC=CC=C2O)[2H]
Structure:
CAS RN: 77096-84-5
CAS Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-5-tritionona-2,4,6,8-tetraenoic acid
OPENEYE Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)-5-tritio-nona-2,4,6,8-tetraenoic acid
IUPAC Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)-5-tritionona-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)-5-tritio-nona-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C20H28O2
MOLECULAR WEIGHT: 302.443229
SMILES: [3H]\C(=C/C(=C\C(=O)O)/C)\C=C(\C)/C=C/C1=C(CCCC1(C)C)C
Structure:
CAS RN: 52963-27-6
CAS Name: 1-(protiomethyl)-8-[8-(protiomethyl)-1-naphthalenyl]naphthalene
OPENEYE Name: 1-(protiomethyl)-8-[8-(protiomethyl)-1-naphthyl]naphthalene
IUPAC Name: 1-(protiomethyl)-8-[8-(protiomethyl)naphthalen-1-yl]naphthalene
SYSTEMATIC NAME: 1-(protiomethyl)-8-[8-(protiomethyl)naphthalen-1-yl]naphthalene
MOLECULAR FORMULA: C22H18
MOLECULAR WEIGHT: 282.37809
SMILES: [1H]CC1=CC=CC2=C1C(=CC=C2)C3=CC=CC4=C3C(=CC=C4)C[1H]
Structure:
CAS RN: 52889-80-2
CAS Name: 1-(protiomethyl)-2-[2-(protiomethyl)phenyl]benzene
OPENEYE Name: 1-(protiomethyl)-2-[2-(protiomethyl)phenyl]benzene
IUPAC Name: 1-(protiomethyl)-2-[2-(protiomethyl)phenyl]benzene
SYSTEMATIC NAME: 1-(protiomethyl)-2-[2-(protiomethyl)phenyl]benzene
MOLECULAR FORMULA: C14H14
MOLECULAR WEIGHT: 182.26073
SMILES: [1H]CC1=CC=CC=C1C2=CC=CC=C2C[1H]
Structure:
CAS RN: 52889-79-9
CAS Name: 2-(protiomethyl)-1-[2-(protiomethyl)-1-naphthalenyl]naphthalene
OPENEYE Name: 2-(protiomethyl)-1-[2-(protiomethyl)-1-naphthyl]naphthalene
IUPAC Name: 2-(protiomethyl)-1-[2-(protiomethyl)naphthalen-1-yl]naphthalene
SYSTEMATIC NAME: 2-(protiomethyl)-1-[2-(protiomethyl)naphthalen-1-yl]naphthalene
MOLECULAR FORMULA: C22H18
MOLECULAR WEIGHT: 282.37809
SMILES: [1H]CC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)C[1H]
Structure:
CAS RN: 38479-87-7
CAS Name: 2,4-dimethyl-5-(protiomethyl)benzaldehyde
OPENEYE Name: 2,4-dimethyl-5-(protiomethyl)benzaldehyde
IUPAC Name: 2,4-dimethyl-5-(protiomethyl)benzaldehyde
SYSTEMATIC NAME: 2,4-dimethyl-5-(protiomethyl)benzaldehyde
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.201565
SMILES: [1H]CC1=C(C=C(C(=C1)C=O)C)C
Structure:
CAS RN: 38479-86-6
CAS Name: 2,5-dimethyl-4-(protiomethyl)benzaldehyde
OPENEYE Name: 2,5-dimethyl-4-(protiomethyl)benzaldehyde
IUPAC Name: 2,5-dimethyl-4-(protiomethyl)benzaldehyde
SYSTEMATIC NAME: 2,5-dimethyl-4-(protiomethyl)benzaldehyde
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.201565
SMILES: [1H]CC1=C(C=C(C(=C1)C)C=O)C
Structure:
CAS RN: 20722-48-9
CAS Name: 9,10-dideuteriophenanthrene
OPENEYE Name: 9,10-dideuteriophenanthrene
IUPAC Name: 9,10-dideuteriophenanthrene
SYSTEMATIC NAME: 9,10-dideuteriophenanthrene
MOLECULAR FORMULA: C14H10
MOLECULAR WEIGHT: 180.241524
SMILES: [2H]C1=C(C2=CC=CC=C2C3=CC=CC=C13)[2H]
Structure:
CAS RN: 20369-34-0
CAS Name: 1-methoxy-3-(trideuteriomethyl)benzene
OPENEYE Name: 1-methoxy-3-(trideuteriomethyl)benzene
IUPAC Name: 1-methoxy-3-(trideuteriomethyl)benzene
SYSTEMATIC NAME: 1-methoxy-3-(trideuteriomethyl)benzene
MOLECULAR FORMULA: C8H10O
MOLECULAR WEIGHT: 125.182885
SMILES: [2H]C([2H])([2H])C1=CC(=CC=C1)OC
Structure:
CAS RN: 87668-72-2
CAS Name: (2S)-2-amino-4-(2,4-dinitro-3,5,6-tritritioanilino)butanehydrazide hydrochloride
OPENEYE Name: (2S)-2-amino-4-(2,4-dinitro-3,5,6-tritritio-anilino)butanehydrazide hydrochloride
IUPAC Name: (2S)-2-amino-4-(2,4-dinitro-3,5,6-tritritioanilino)butanehydrazide hydrochloride
SYSTEMATIC NAME: (2S)-2-azanyl-4-[(2,4-dinitro-3,5,6-tritritio-phenyl)amino]butanehydrazide hydrochloride
MOLECULAR FORMULA: C10H15ClN6O5
MOLECULAR WEIGHT: 340.740628
SMILES: [3H]C1=C(C(=C(C(=C1NCC[C@@H](C(=O)NN)N)[N+](=O)[O-])[3H])[N+](=O)[O-])[3H].Cl
Structure:
CAS RN: 66052-75-3
CAS Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-4,5-ditritionona-2,4,6,8-tetraenoic acid
OPENEYE Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)-4,5-ditritio-nona-2,4,6,8-tetraenoic acid
IUPAC Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)-4,5-ditritionona-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)-4,5-ditritio-nona-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C20H28O2
MOLECULAR WEIGHT: 304.451339
SMILES: [3H]\C(=C(\[3H])/C(=C\C(=O)O)/C)\C=C(\C)/C=C/C1=C(CCCC1(C)C)C
Structure:
CAS RN: 85045-34-7
CAS Name: 9-[3-(3H-diazirin-3-yl)phenoxy]-9,9-ditritiononanoic acid
OPENEYE Name: 9-[3-(3H-diazirin-3-yl)phenoxy]-9,9-ditritio-nonanoic acid
IUPAC Name: 9-[3-(3H-diazirin-3-yl)phenoxy]-9,9-ditritiononanoic acid
SYSTEMATIC NAME: 9-[3-(3H-1,2-diazirin-3-yl)phenoxy]-9,9-ditritio-nonanoic acid
MOLECULAR FORMULA: C16H22N2O3
MOLECULAR WEIGHT: 294.373699
SMILES: [3H]C([3H])(CCCCCCCC(=O)O)OC1=CC=CC(=C1)C2N=N2
Structure:
CAS RN: 70572-94-0
CAS Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-5,6-ditritionona-2,4,6,8-tetraenoic acid
OPENEYE Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)-5,6-ditritio-nona-2,4,6,8-tetraenoic acid
IUPAC Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)-5,6-ditritionona-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)-5,6-ditritio-nona-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C20H28O2
MOLECULAR WEIGHT: 304.451339
SMILES: [3H]\C(=C/C(=C\C(=O)O)/C)\C(=C(\C)/C=C/C1=C(CCCC1(C)C)C)\[3H]
Structure:
CAS RN: 138921-14-9
CAS Name: 2-amino-9-[2,3-bis(hydroxymethyl)cyclobutyl]-8-tritio-3H-purin-6-one
OPENEYE Name: 2-amino-9-[2,3-bis(hydroxymethyl)cyclobutyl]-8-tritio-3H-purin-6-one
IUPAC Name: 2-amino-9-[2,3-bis(hydroxymethyl)cyclobutyl]-8-tritio-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[2,3-bis(hydroxymethyl)cyclobutyl]-8-tritio-3H-purin-6-one
MOLECULAR FORMULA: C11H15N5O3
MOLECULAR WEIGHT: 267.276609
SMILES: [3H]C1=NC2=C(N1C3CC(C3CO)CO)NC(=NC2=O)N
Structure:
CAS RN: 109293-21-2
CAS Name: 5-[2-(3-azidophenyl)ethyl-(tritritiomethyl)amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride
OPENEYE Name: 5-[2-(3-azidophenyl)ethyl-(tritritiomethyl)amino]-2-isopropyl-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride
IUPAC Name: 5-[2-(3-azidophenyl)ethyl-(tritritiomethyl)amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride
SYSTEMATIC NAME: 5-[2-(3-azidophenyl)ethyl-(tritritiomethyl)amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride
MOLECULAR FORMULA: C26H36ClN5O3
MOLECULAR WEIGHT: 508.073068
SMILES: [3H]C([3H])([3H])N(CCCC(C#N)(C1=CC(=C(C(=C1)OC)OC)OC)C(C)C)CCC2=CC(=CC=C2)N=[N+]=[N-].Cl
Structure:
CAS RN: 120182-46-9
CAS Name: N'-(2-dihydroxyphosphinothioyloxyethyl)heptane-1,7-diamine
OPENEYE Name: N'-(2-dihydroxyphosphinothioyloxyethyl)heptane-1,7-diamine
IUPAC Name: N'-(2-dihydroxyphosphinothioyloxyethyl)heptane-1,7-diamine
SYSTEMATIC NAME: N'-[2-bis(oxidanyl)phosphinothioyloxyethyl]heptane-1,7-diamine
MOLECULAR FORMULA: C9H23N2O3PS
MOLECULAR WEIGHT: 270.329281
SMILES: C(CCCN)CCCNCCOP(=S)(O)O
Structure:
CAS RN: 102745-99-3
CAS Name: 7-amino-3-[2-[4-[(4-fluoro-2-tritiophenyl)-oxomethyl]-1-piperidinyl]ethyl]-1H-quinazoline-2,4-dione
OPENEYE Name: 7-amino-3-[2-[4-(4-fluoro-2-tritio-benzoyl)-1-piperidyl]ethyl]-1H-quinazoline-2,4-dione
IUPAC Name: 7-amino-3-[2-[4-(4-fluoro-2-tritiobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
SYSTEMATIC NAME: 7-azanyl-3-[2-[4-(4-fluoranyl-2-tritio-phenyl)carbonylpiperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
MOLECULAR FORMULA: C22H23FN4O3
MOLECULAR WEIGHT: 412.449532
SMILES: [3H]C1=CC(=CC=C1C(=O)C2CCN(CC2)CCN3C(=O)C4=C(C=C(C=C4)N)NC3=O)F
Structure:
CAS RN: 99795-34-3
CAS Name: 5-[dihydroxyphosphinothioyloxy(hydroxy)phosphoryl]oxy-3-hydroxy-3-methylpentanoic acid
OPENEYE Name: 5-[dihydroxyphosphinothioyloxy(hydroxy)phosphoryl]oxy-3-hydroxy-3-methyl-pentanoic acid
IUPAC Name: 5-[dihydroxyphosphinothioyloxy(hydroxy)phosphoryl]oxy-3-hydroxy-3-methylpentanoic acid
SYSTEMATIC NAME: 5-[bis(oxidanyl)phosphinothioyloxy-oxidanyl-phosphoryl]oxy-3-methyl-3-oxidanyl-pentanoic acid
MOLECULAR FORMULA: C6H14O9P2S
MOLECULAR WEIGHT: 324.182482
SMILES: CC(CCOP(=O)(O)OP(=S)(O)O)(CC(=O)O)O
Structure:
CAS RN: 98211-68-8
CAS Name: 4-(4-hydroxysulfonothioylphenyl)azo-N,N-dimethylaniline
OPENEYE Name: 4-(4-hydroxysulfonothioylphenyl)azo-N,N-dimethyl-aniline
IUPAC Name: 4-[(4-hydroxysulfonothioylphenyl)diazenyl]-N,N-dimethylaniline
SYSTEMATIC NAME: N,N-dimethyl-4-[(4-oxidanylsulfonothioylphenyl)diazenyl]aniline
MOLECULAR FORMULA: C14H15N3O2S2
MOLECULAR WEIGHT: 321.4178
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=S)O
Structure:
CAS RN: 71142-69-3
CAS Name: (8R,9S,13S,14S)-3-[hydroxy(methyl)phosphinothioyl]oxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
OPENEYE Name: (8R,9S,13S,14S)-3-[hydroxy(methyl)phosphinothioyl]oxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
IUPAC Name: (8R,9S,13S,14S)-3-[hydroxy(methyl)phosphinothioyl]oxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: (8R,9S,13S,14S)-13-methyl-3-[methyl(oxidanyl)phosphinothioyl]oxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C19H25O3PS
MOLECULAR WEIGHT: 364.438761
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OP(=S)(C)O
Structure:
CAS RN: 92127-73-6
CAS Name: 1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxy-2-oxolanyl]-5-methylpyrimidine-2,4-dione
OPENEYE Name: 1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C20H26N7O9PS
MOLECULAR WEIGHT: 571.500701
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O[C@H]3C[C@@H](O[C@@H]3CO)N4C=NC5=C4N=CN=C5N)O
Structure:
CAS RN: 91389-14-9
CAS Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-[hydroxy(phosphonooxy)phosphinothioyl]oxy-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-[hydroxy(phosphonooxy)phosphinothioyl]oxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-[hydroxy(phosphonooxy)phosphinothioyl]oxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-[oxidanyl(phosphonooxy)phosphinothioyl]oxy-oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C5H13O13P3S
MOLECULAR WEIGHT: 406.135203
SMILES: C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=S)(O)OP(=O)(O)O)O)O)OP(=O)(O)O
Structure:
CAS RN: 91385-22-7
CAS Name: dihydroxyphosphinothioyl [(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)-2-oxolanyl] hydrogen phosphate
OPENEYE Name: dihydroxyphosphinothioyl [(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl] hydrogen phosphate
IUPAC Name: dihydroxyphosphinothioyl [(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl] hydrogen phosphate
SYSTEMATIC NAME: bis(oxidanyl)phosphinothioyl [(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl] hydrogen phosphate
MOLECULAR FORMULA: C5H13O13P3S
MOLECULAR WEIGHT: 406.135203
SMILES: C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)OP(=S)(O)O)O)O)OP(=O)(O)O
Structure:
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