CAS RN: 13061-19-3
CAS Name: (7S,8S)-7,8-dihydrobenzo[f]quinoline-7,8-diol
OPENEYE Name: (7S,8S)-7,8-dihydrobenzo[f]quinoline-7,8-diol
IUPAC Name: (7S,8S)-7,8-dihydrobenzo[f]quinoline-7,8-diol
SYSTEMATIC NAME: (7S,8S)-7,8-dihydrobenzo[f]quinoline-7,8-diol
MOLECULAR FORMULA: C13H11NO2
MOLECULAR WEIGHT: 213.23194
SMILES: C1=CC2=C(C=CC3=C2C=C[C@@H]([C@H]3O)O)N=C1
Structure:
CAS RN: 103620-26-4
CAS Name: (7S,8S)-7,8-dihydrobenzo[f]quinoline-7,8-diol
OPENEYE Name: (7S,8S)-7,8-dihydrobenzo[f]quinoline-7,8-diol
IUPAC Name: (7S,8S)-7,8-dihydrobenzo[f]quinoline-7,8-diol
SYSTEMATIC NAME: (7S,8S)-7,8-dihydrobenzo[f]quinoline-7,8-diol
MOLECULAR FORMULA: C13H11NO2
MOLECULAR WEIGHT: 213.23194
SMILES: C1=CC2=C(C=CC3=C2C=C[C@@H]([C@H]3O)O)N=C1
Structure:
CAS RN: 130445-55-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H29N5O2
MOLECULAR WEIGHT: 419.51936
SMILES: C1CN(CCN1CCCCN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]5[C@H]4C=C5)C6=NC=CC=N6
Structure:
CAS RN: 130246-82-1
CAS Name: 2-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid
OPENEYE Name: 2-[2-[(4-chlorophenyl)sulfonylamino]indan-5-yl]acetic acid
IUPAC Name: 2-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid
SYSTEMATIC NAME: 2-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]ethanoic acid
MOLECULAR FORMULA: C17H16ClNO4S
MOLECULAR WEIGHT: 365.83124
SMILES: C1C(CC2=C1C=CC(=C2)CC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 114037-60-4
CAS Name: 2-[[5-cyclohexyl-3-hydroxy-4-[[3-(1H-imidazol-5-yl)-1-oxo-2-[[1-oxo-2-[[1-oxo-3-(3-pyridinyl)propyl]amino]-3-phenylpropyl]amino]propyl]amino]-1-oxopentyl]amino]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methylpentanamide
OPENEYE Name: 2-[[5-cyclohexyl-3-hydroxy-4-[[3-(1H-imidazol-5-yl)-2-[[3-phenyl-2-[3-(3-pyridyl)propanoylamino]propanoyl]amino]propanoyl]amino]pentanoyl]amino]-N-[2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]-3-methyl-pentanamide
IUPAC Name: 2-[[5-cyclohexyl-3-hydroxy-4-[[3-(1H-imidazol-5-yl)-2-[[3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanoyl]amino]propanoyl]amino]pentanoyl]amino]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methylpentanamide
SYSTEMATIC NAME: 2-[[5-cyclohexyl-4-[[3-(1H-imidazol-5-yl)-2-[[3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanoyl]amino]propanoyl]amino]-3-oxidanyl-pentanoyl]amino]-3-methyl-N-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]pentanamide
MOLECULAR FORMULA: C44H64N8O8
MOLECULAR WEIGHT: 833.02776
SMILES: CCC(C)C(C(=O)NC(C)(CO)CO)NC(=O)CC(C(CC1CCCCC1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)CCC4=CN=CC=C4)O
Structure:
CAS RN: 129879-41-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20N4O6
MOLECULAR WEIGHT: 364.3532
SMILES: CC1=C(C2=C([C@@H]([C@]3(N2C[C@H]4[C@@H]3N4)OC)COC(=O)N)C(=C1N=O)O)OC
Structure:
CAS RN: 129722-94-7
CAS Name: 1-(2-chloroethyl)-3-[2-hydroxy-3-(2-nitro-1-imidazolyl)propyl]-1-nitrosourea
OPENEYE Name: 1-(2-chloroethyl)-3-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]-1-nitroso-urea
IUPAC Name: 1-(2-chloroethyl)-3-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]-1-nitrosourea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[3-(2-nitroimidazol-1-yl)-2-oxidanyl-propyl]-1-nitroso-urea
MOLECULAR FORMULA: C9H13ClN6O5
MOLECULAR WEIGHT: 320.68972
SMILES: C1=CN(C(=N1)[N+](=O)[O-])CC(CNC(=O)N(CCCl)N=O)O
Structure:
CAS RN: 1291-47-0
CAS Name: (3R,5R)-3,5-bis(4-chlorophenyl)-3-(1-imidazolylmethyl)-2-methylisoxazolidine
OPENEYE Name: (3R,5R)-3,5-bis(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-isoxazolidine
IUPAC Name: (3R,5R)-3,5-bis(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine
SYSTEMATIC NAME: (3R,5R)-3,5-bis(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine
MOLECULAR FORMULA: C20H19Cl2N3O
MOLECULAR WEIGHT: 388.29036
SMILES: CN1[C@@](C[C@@H](O1)C2=CC=C(C=C2)Cl)(CN3C=CN=C3)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 128751-31-5
CAS Name: 4,6-dihydroxy-2-methoxy-7-methyl-1-[(5S,6R,7S,8R)-4,5,6,7,8-pentahydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5H-anthracen-1-yl]anthracene-9,10-dione
OPENEYE Name: 4,6-dihydroxy-2-methoxy-7-methyl-1-[(5S,6R,7S,8R)-4,5,6,7,8-pentahydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5H-anthracen-1-yl]anthracene-9,10-dione
IUPAC Name: 4,6-dihydroxy-2-methoxy-7-methyl-1-[(5S,6R,7S,8R)-4,5,6,7,8-pentahydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5H-anthracen-1-yl]anthracene-9,10-dione
SYSTEMATIC NAME: 2-methoxy-1-[(5S,6R,7S,8R)-2-methoxy-7-methyl-4,5,6,7,8-pentakis(oxidanyl)-9,10-bis(oxidanylidene)-6,8-dihydro-5H-anthracen-1-yl]-7-methyl-4,6-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C32H26O13
MOLECULAR WEIGHT: 618.54104
SMILES: CC1=C(C=C2C(=C1)C(=O)C3=C(C(=CC(=C3C2=O)O)OC)C4=C5C(=C(C=C4OC)O)C(=O)C6=C(C5=O)[C@H]([C@]([C@@H]([C@H]6O)O)(C)O)O)O
Structure:
CAS RN: 12626-17-4
CAS Name: 2-[4-[3-[(4-amino-3-iodophenyl)methyl]-2,6-dioxo-1-propyl-7H-purin-8-yl]phenoxy]acetic acid
OPENEYE Name: 2-[4-[3-[(4-amino-3-iodo-phenyl)methyl]-2,6-dioxo-1-propyl-7H-purin-8-yl]phenoxy]acetic acid
IUPAC Name: 2-[4-[3-[(4-amino-3-iodophenyl)methyl]-2,6-dioxo-1-propyl-7H-purin-8-yl]phenoxy]acetic acid
SYSTEMATIC NAME: 2-[4-[3-[(4-azanyl-3-iodanyl-phenyl)methyl]-2,6-bis(oxidanylidene)-1-propyl-7H-purin-8-yl]phenoxy]ethanoic acid
MOLECULAR FORMULA: C23H22IN5O5
MOLECULAR WEIGHT: 575.35575
SMILES: CCCN1C(=O)C2=C(N=C(N2)C3=CC=C(C=C3)OCC(=O)O)N(C1=O)CC4=CC(=C(C=C4)N)I
Structure:
CAS RN: 125-92-8
CAS Name: 2,3,7-trichloro-8-iododibenzo-p-dioxin
OPENEYE Name: 2,3,7-trichloro-8-iodo-dibenzo-p-dioxin
IUPAC Name: 2,3,7-trichloro-8-iododibenzo-p-dioxin
SYSTEMATIC NAME: 2,3,7-tris(chloranyl)-8-iodanyl-dibenzo-p-dioxin
MOLECULAR FORMULA: C12H4Cl3IO2
MOLECULAR WEIGHT: 413.42243
SMILES: C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)I
Structure:
CAS RN: 111944-83-3
CAS Name: (2S)-N-[5-[3-[3-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]propylamino]propylamino]pentyl]-2-[[2-(4-hydroxy-1H-indol-3-yl)-1-oxoethyl]amino]butanediamide
OPENEYE Name: (2S)-N-[5-[3-[3-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]propylamino]propylamino]pentyl]-2-[[2-(4-hydroxy-1H-indol-3-yl)acetyl]amino]butanediamide
IUPAC Name: (2S)-N-[5-[3-[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propylamino]propylamino]pentyl]-2-[[2-(4-hydroxy-1H-indol-3-yl)acetyl]amino]butanediamide
SYSTEMATIC NAME: (2S)-N-[5-[3-[3-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propylamino]propylamino]pentyl]-2-[2-(4-oxidanyl-1H-indol-3-yl)ethanoylamino]butanediamide
MOLECULAR FORMULA: C31H53N11O5
MOLECULAR WEIGHT: 659.82322
SMILES: C1=CC2=C(C(=C1)O)C(=CN2)CC(=O)N[C@@H](CC(=O)N)C(=O)NCCCCCNCCCNCCCNC(=O)[C@H](CCCN=C(N)N)N
Structure:
CAS RN: 111900-25-5
CAS Name: 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanethioic acid S-[2-[[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopro
OPENEYE Name: S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-met
IUPAC Name: S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanethi
SYSTEMATIC NAME: S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-[4-[2,2-bis(chloranyl)cyclopropyl]phenoxy]-2-me
MOLECULAR FORMULA: C34H48Cl2N7O18P3S
MOLECULAR WEIGHT: 1038.673303
SMILES: CC(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)C(C(=O)NCCC(=O)NCCSC(=O)C(C)(C)OC4=CC=C(C=C4)C5CC5(Cl)Cl)O
Structure:
CAS RN: 1251-84-9
CAS Name: 2,3,4,5,6-pentahydroxyhexyl-[(4-propan-2-ylphenyl)methyl]carbamodithioic acid
OPENEYE Name: (4-isopropylphenyl)methyl-(2,3,4,5,6-pentahydroxyhexyl)carbamodithioic acid
IUPAC Name: 2,3,4,5,6-pentahydroxyhexyl-[(4-propan-2-ylphenyl)methyl]carbamodithioic acid
SYSTEMATIC NAME: 2,3,4,5,6-pentakis(oxidanyl)hexyl-[(4-propan-2-ylphenyl)methyl]carbamodithioic acid
MOLECULAR FORMULA: C17H27NO5S2
MOLECULAR WEIGHT: 389.52998
SMILES: CC(C)C1=CC=C(C=C1)CN(CC(C(C(C(CO)O)O)O)O)C(=S)S
Structure:
CAS RN: 111745-19-8
CAS Name: N-[4-(diethylamino)-6-[(2,2,6,6-tetramethyl-4-piperidinyl)-[(2,2,6,6-tetramethyl-4-piperidinyl)iminomethyl]amino]-1,3,5-triazin-2-yl]-N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)methanimidamide
OPENEYE Name: N-[4-(diethylamino)-6-[(2,2,6,6-tetramethyl-4-piperidyl)-[(2,2,6,6-tetramethyl-4-piperidyl)iminomethyl]amino]-1,3,5-triazin-2-yl]-N,N'-bis(2,2,6,6-tetramethyl-4-piperidyl)formamidine
IUPAC Name: N-[4-(diethylamino)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]amino]-1,3,5-triazin-2-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanimidamide
SYSTEMATIC NAME: N-[4-(diethylamino)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]amino]-1,3,5-triazin-2-yl]-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanimidamide
MOLECULAR FORMULA: C45H84N12
MOLECULAR WEIGHT: 793.22886
SMILES: CCN(CC)C1=NC(=NC(=N1)N(C=NC2CC(NC(C2)(C)C)(C)C)C3CC(NC(C3)(C)C)(C)C)N(C=NC4CC(NC(C4)(C)C)(C)C)C5CC(NC(C5)(C)C)(C)C
Structure:
CAS RN: 124952-36-9
CAS Name: acetic acid [(3S,4R)-5-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f]isobenzofuran-4-yl]oxy]-3,4-dihydroxy-3-oxolanyl]methyl ester
OPENEYE Name: [(3S,4R)-5-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f]isobenzofuran-4-yl]oxy]-3,4-dihydroxy-tetrahydrofuran-3-yl]methyl acetate
IUPAC Name: [(3S,4R)-5-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl]oxy]-3,4-dihydroxyoxolan-3-yl]methyl acetate
SYSTEMATIC NAME: [(3S,4R)-5-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxidanylidene-3H-benzo[f][2]benzofuran-4-yl]oxy]-3,4-bis(oxidanyl)oxolan-3-yl]methyl ethanoate
MOLECULAR FORMULA: C28H26O12
MOLECULAR WEIGHT: 554.49884
SMILES: CC(=O)OC[C@]1(COC([C@@H]1O)OC2=C3COC(=O)C3=C(C4=CC(=C(C=C42)OC)OC)C5=CC6=C(C=C5)OCO6)O
Structure:
CAS RN: 1246-03-3
CAS Name: (7S)-2-hydroxy-7-[(2-hydroxyphenyl)methyl-methylamino]-1,3,10-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
OPENEYE Name: (7S)-2-hydroxy-7-[(2-hydroxyphenyl)methyl-methyl-amino]-1,3,10-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
IUPAC Name: (7S)-2-hydroxy-7-[(2-hydroxyphenyl)methyl-methylamino]-1,3,10-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
SYSTEMATIC NAME: (7S)-7-[(2-hydroxyphenyl)methyl-methyl-amino]-1,3,10-trimethoxy-2-oxidanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one
MOLECULAR FORMULA: C27H29NO6
MOLECULAR WEIGHT: 463.52226
SMILES: CN(CC1=CC=CC=C1O)[C@H]2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)OC)OC)O)OC
Structure:
CAS RN: 124428-20-2
CAS Name: 4-[2-(4-azido-3-iodophenyl)ethylamino]-4-oxobutanoic acid [(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-5-yl] ester
OPENEYE Name: [(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 4-[2-(4-azido-3-iodo-phenyl)ethylamino]-4-oxo-butanoate
IUPAC Name: [(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 4-[2-(4-azido-3-iodophenyl)ethylamino]-4-oxobutanoate
SYSTEMATIC NAME: [(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-ethenyl-3,4a,7,7,10a-pentamethyl-6,10,10b-tris(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 4-[2-(4-azido-3-iodanyl-phenyl)ethylamino]-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C32H43IN4O8
MOLECULAR WEIGHT: 738.61029
SMILES: C[C@@]1(CC(=O)[C@]2([C@@]3([C@@H](CCC([C@H]3[C@H]([C@H]([C@@]2(O1)C)OC(=O)CCC(=O)NCCC4=CC(=C(C=C4)N=[N+]=[N-])I)O)(C)C)O)C)O)C=C
Structure:
CAS RN: 1243-43-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H32O6
MOLECULAR WEIGHT: 416.50728
SMILES: CC1CCCC2C=C(C(CC23C4C(C(=O)C(=C)C(O4)C(C1)C)(C(=O)O3)C)C)C(=O)O
Structure:
CAS RN: 111011-76-8
CAS Name: 5-(5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-(N-(phenylmethyl)anilino)ethyl ester; ethanol; hydrochloride
OPENEYE Name: 2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate; ethanol; hydrochloride
IUPAC Name: 2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate; ethanol; hydrochloride
SYSTEMATIC NAME: ethanol; 2-[phenyl-(phenylmethyl)amino]ethyl 5-(5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate; hydrochloride
MOLECULAR FORMULA: C36H45ClN3O8P
MOLECULAR WEIGHT: 714.184561
SMILES: CCO.CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5.Cl
Structure:
CAS RN: 110952-54-0
CAS Name: 5-methyl-2-(2-thiazolylamino)phenol hydrochloride
OPENEYE Name: 5-methyl-2-(thiazol-2-ylamino)phenol hydrochloride
IUPAC Name: 5-methyl-2-(1,3-thiazol-2-ylamino)phenol hydrochloride
SYSTEMATIC NAME: 5-methyl-2-(1,3-thiazol-2-ylamino)phenol hydrochloride
MOLECULAR FORMULA: C10H11ClN2OS
MOLECULAR WEIGHT: 242.72514
SMILES: CC1=CC(=C(C=C1)NC2=NC=CS2)O.Cl
Structure:
CAS RN: 110714-10-8
CAS Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propyl]-3-pyridazinone hydrochloride
OPENEYE Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propyl]pyridazin-3-one hydrochloride
IUPAC Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propyl]pyridazin-3-one hydrochloride
SYSTEMATIC NAME: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propyl]pyridazin-3-one hydrochloride
MOLECULAR FORMULA: C16H20ClN3O3
MOLECULAR WEIGHT: 337.8013
SMILES: C1C(OC2=CC=CC=C2O1)CNCCCN3C(=O)C=CC=N3.Cl
Structure:
CAS RN: 120142-25-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28O4
MOLECULAR WEIGHT: 356.45532
SMILES: C[C@]12CCC(=O)C=C1[C@H]3[C@H](O3)[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@@]56CCC(=O)O6)C
Structure:
CAS RN: 109348-55-2
CAS Name: 2H-benzotriazole; tetrabutylphosphonium
OPENEYE Name: 2H-benzotriazole; tetrabutylphosphonium
IUPAC Name: 2H-benzotriazole; tetrabutylphosphanium
SYSTEMATIC NAME: 2H-benzotriazole; tetrabutylphosphanium
MOLECULAR FORMULA: C22H41N3P+
MOLECULAR WEIGHT: 378.554801
SMILES: CCCC[P+](CCCC)(CCCC)CCCC.C1=CC2=NNN=C2C=C1
Structure:
CAS RN: 179607-48-8
CAS Name: 2H-benzotriazole; tetrabutylphosphonium
OPENEYE Name: 2H-benzotriazole; tetrabutylphosphonium
IUPAC Name: 2H-benzotriazole; tetrabutylphosphanium
SYSTEMATIC NAME: 2H-benzotriazole; tetrabutylphosphanium
MOLECULAR FORMULA: C22H41N3P+
MOLECULAR WEIGHT: 378.554801
SMILES: CCCC[P+](CCCC)(CCCC)CCCC.C1=CC2=NNN=C2C=C1
Structure:
CAS RN: 118986-32-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H24O
MOLECULAR WEIGHT: 220.35046
SMILES: C[C@]12CC[C@H]3[C@@H](CC3(C)C)[C@H](C1)C(=O)CC2
Structure:
CAS RN: 118744-85-7
CAS Name: acetic acid [(1aR,5aR,6S,6aR)-1a,2-diformyl-4,4,6a-trimethyl-3,5,5a,6-tetrahydro-1H-cyclopropa[f]inden-6-yl] ester
OPENEYE Name: [(1aR,5aR,6S,6aR)-1a,2-diformyl-4,4,6a-trimethyl-3,5,5a,6-tetrahydro-1H-cyclopropa[f]inden-6-yl] acetate
IUPAC Name: [(1aR,5aR,6S,6aR)-1a,2-diformyl-4,4,6a-trimethyl-3,5,5a,6-tetrahydro-1H-cyclopropa[f]inden-6-yl] acetate
SYSTEMATIC NAME: [(1aR,5aR,6S,6aR)-1a,2-dimethanoyl-4,4,6a-trimethyl-3,5,5a,6-tetrahydro-1H-cyclopropa[f]inden-6-yl] ethanoate
MOLECULAR FORMULA: C17H22O4
MOLECULAR WEIGHT: 290.35418
SMILES: CC(=O)O[C@H]1[C@@H]2CC(CC2=C([C@@]3([C@]1(C3)C)C=O)C=O)(C)C
Structure:
CAS RN: 118377-57-4
CAS Name: (6S,7S)-7-[[2-(2-amino-4-thiazolyl)-2-[[(1,5-dihydroxy-4-oxo-2-pyridinyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-[[[1-(2-hydroxyethyl)-4-pyridin-1-iumyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
OPENEYE Name: (6S,7S)-7-[[2-(2-aminothiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-pyridine-2-carbonyl)amino]acetyl]amino]-3-[[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC Name: (6S,7S)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxopyridine-2-carbonyl)amino]acetyl]amino]-3-[[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (6S,7S)-7-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-[[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]carbonylamino]ethanoyl]amino]-3-[[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C26H25N7O9S3
MOLECULAR WEIGHT: 675.7132
SMILES: C1C(=C(N2[C@@H](S1)[C@H](C2=O)NC(=O)C(C3=CSC(=N3)N)NC(=O)C4=CC(=O)C(=CN4O)O)C(=O)[O-])CSC5=CC=[N+](C=C5)CCO
Structure:
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