CAS RN: 2056-74-8
CAS Name: bis(tert-butylimino)-$l^{4}-sulfane
OPENEYE Name: bis(tert-butylimino)-$l^{4}-sulfane
IUPAC Name: bis(tert-butylimino)-$l^{4}-sulfane
SYSTEMATIC NAME: bis(tert-butylimino)-$l^{4}-sulfane
MOLECULAR FORMULA: C8H18N2S
MOLECULAR WEIGHT: 174.30692
SMILES: CC(C)(C)N=S=NC(C)(C)C
Structure:
CAS RN: 2054-35-5
CAS Name: 3,4-dihydro-2H-1-benzothiopyran
OPENEYE Name: thiochromane
IUPAC Name: 3,4-dihydro-2H-thiochromene
SYSTEMATIC NAME: 3,4-dihydro-2H-thiochromene
MOLECULAR FORMULA: C9H10S
MOLECULAR WEIGHT: 150.2407
SMILES: C1CC2=CC=CC=C2SC1
Structure:
CAS RN: 2051-53-8
CAS Name: 2-methyl-5-propan-2-ylaniline
OPENEYE Name: 5-isopropyl-2-methyl-aniline
IUPAC Name: 2-methyl-5-propan-2-ylaniline
SYSTEMATIC NAME: 2-methyl-5-propan-2-yl-aniline
MOLECULAR FORMULA: C10H15N
MOLECULAR WEIGHT: 149.2328
SMILES: CC1=C(C=C(C=C1)C(C)C)N
Structure:
CAS RN: 88208-16-6
CAS Name: N-(2,3-dihydroxypropyl)-N-prop-2-enylnitrous amide
OPENEYE Name: N-allyl-N-(2,3-dihydroxypropyl)nitrous amide
IUPAC Name: N-(2,3-dihydroxypropyl)-N-prop-2-enylnitrous amide
SYSTEMATIC NAME: N-[2,3-bis(oxidanyl)propyl]-N-prop-2-enyl-nitrous amide
MOLECULAR FORMULA: C6H12N2O3
MOLECULAR WEIGHT: 160.17108
SMILES: C=CCN(CC(CO)O)N=O
Structure:
CAS RN: 88054-39-1
CAS Name: (10S,11S)-4-(hydroxymethyl)-10,11-dihydrobenzo[a]anthracene-10,11-diol
OPENEYE Name: (10S,11S)-4-(hydroxymethyl)-10,11-dihydrobenzo[a]anthracene-10,11-diol
IUPAC Name: (10S,11S)-4-(hydroxymethyl)-10,11-dihydrobenzo[a]anthracene-10,11-diol
SYSTEMATIC NAME: (10S,11S)-4-(hydroxymethyl)-10,11-dihydrobenzo[a]anthracene-10,11-diol
MOLECULAR FORMULA: C19H16O3
MOLECULAR WEIGHT: 292.32854
SMILES: C1=CC2=C(C=CC3=CC4=C(C=C32)[C@@H]([C@H](C=C4)O)O)C(=C1)CO
Structure:
CAS RN: 88195-60-2
CAS Name: (10S,11S)-4-(hydroxymethyl)-10,11-dihydrobenzo[a]anthracene-10,11-diol
OPENEYE Name: (10S,11S)-4-(hydroxymethyl)-10,11-dihydrobenzo[a]anthracene-10,11-diol
IUPAC Name: (10S,11S)-4-(hydroxymethyl)-10,11-dihydrobenzo[a]anthracene-10,11-diol
SYSTEMATIC NAME: (10S,11S)-4-(hydroxymethyl)-10,11-dihydrobenzo[a]anthracene-10,11-diol
MOLECULAR FORMULA: C19H16O3
MOLECULAR WEIGHT: 292.32854
SMILES: C1=CC2=C(C=CC3=CC4=C(C=C32)[C@@H]([C@H](C=C4)O)O)C(=C1)CO
Structure:
CAS RN: 88054-38-0
CAS Name: (8S,9S)-4-(hydroxymethyl)-8,9-dihydrobenzo[a]anthracene-8,9-diol
OPENEYE Name: (8S,9S)-4-(hydroxymethyl)-8,9-dihydrobenzo[a]anthracene-8,9-diol
IUPAC Name: (8S,9S)-4-(hydroxymethyl)-8,9-dihydrobenzo[a]anthracene-8,9-diol
SYSTEMATIC NAME: (8S,9S)-4-(hydroxymethyl)-8,9-dihydrobenzo[a]anthracene-8,9-diol
MOLECULAR FORMULA: C19H16O3
MOLECULAR WEIGHT: 292.32854
SMILES: C1=CC2=C(C=CC3=CC4=C(C=C[C@@H]([C@H]4O)O)C=C32)C(=C1)CO
Structure:
CAS RN: 88195-59-9
CAS Name: (8S,9S)-4-(hydroxymethyl)-8,9-dihydrobenzo[a]anthracene-8,9-diol
OPENEYE Name: (8S,9S)-4-(hydroxymethyl)-8,9-dihydrobenzo[a]anthracene-8,9-diol
IUPAC Name: (8S,9S)-4-(hydroxymethyl)-8,9-dihydrobenzo[a]anthracene-8,9-diol
SYSTEMATIC NAME: (8S,9S)-4-(hydroxymethyl)-8,9-dihydrobenzo[a]anthracene-8,9-diol
MOLECULAR FORMULA: C19H16O3
MOLECULAR WEIGHT: 292.32854
SMILES: C1=CC2=C(C=CC3=CC4=C(C=C[C@@H]([C@H]4O)O)C=C32)C(=C1)CO
Structure:
CAS RN: 88190-97-0
CAS Name: 9,10-dihydrobenzo[e]pyrene-9,10-diol
OPENEYE Name: 9,10-dihydrobenzo[e]pyrene-9,10-diol
IUPAC Name: 9,10-dihydrobenzo[e]pyrene-9,10-diol
SYSTEMATIC NAME: 9,10-dihydrobenzo[e]pyrene-9,10-diol
MOLECULAR FORMULA: C20H14O2
MOLECULAR WEIGHT: 286.32396
SMILES: C1=CC2=C3C(=C1)C4=C(C(C(C=C4)O)O)C5=CC=CC(=C53)C=C2
Structure:
CAS RN: 88171-14-6
CAS Name: (2S)-2-[[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-ox
OPENEYE Name: (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-guanid
IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diamino
SYSTEMATIC NAME: (2S)-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S,3R)-2-[[(2S)-6-azanyl-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-
MOLECULAR FORMULA: C42H78N14O11
MOLECULAR WEIGHT: 955.15592
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N)O
Structure:
CAS RN: 88169-58-8
CAS Name: 2-[2-(2-acetamidoethyl)-4-thiazolyl]-N-[4-(diaminomethylideneamino)butyl]-4-thiazolecarboxamide hydrochloride
OPENEYE Name: 2-[2-(2-acetamidoethyl)thiazol-4-yl]-N-(4-guanidinobutyl)thiazole-4-carboxamide hydrochloride
IUPAC Name: 2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazole-4-carboxamide hydrochloride
SYSTEMATIC NAME: 2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-[4-[bis(azanyl)methylideneamino]butyl]-1,3-thiazole-4-carboxamide hydrochloride
MOLECULAR FORMULA: C16H24ClN7O2S2
MOLECULAR WEIGHT: 445.99046
SMILES: CC(=O)NCCC1=NC(=CS1)C2=NC(=CS2)C(=O)NCCCCN=C(N)N.Cl
Structure:
CAS RN: 88159-20-0
CAS Name: [(4-azido-2-nitrophenyl)-[(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl] phosphono hydrogen phosphate
OPENEYE Name: [(4-azido-2-nitro-phenyl)-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl] phosphono hydrogen phosphate
IUPAC Name: [(4-azido-2-nitrophenyl)-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [(4-azido-2-nitro-phenyl)-[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C15H16N6O14P2
MOLECULAR WEIGHT: 566.266862
SMILES: C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])C([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)OP(=O)(O)OP(=O)(O)O
Structure:
CAS RN: 88158-44-5
CAS Name: (8R,9R,10R,13S,14R,17R)-11,17-dihydroxy-10,13-dimethyl-17-[1-oxo-2-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]ethyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8R,9R,10R,13S,14R,17R)-11,17-dihydroxy-10,13-dimethyl-17-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyacetyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8R,9R,10R,13S,14R,17R)-11,17-dihydroxy-10,13-dimethyl-17-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9R,10R,13S,14R,17R)-17-[2-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethanoyl]-10,13-dimethyl-11,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C27H38O10
MOLECULAR WEIGHT: 522.58462
SMILES: C[C@]12CC([C@@H]3[C@@H]([C@H]1CC[C@@]2(C(=O)COC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)CCC5=CC(=O)C=C[C@]35C)O
Structure:
CAS RN: 88142-60-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H17NO5
MOLECULAR WEIGHT: 351.35268
SMILES: COC1=CC2=C(C=C1)C3=NC=CC4=C3C(=C(C(=C4OC)OC)OC)C2=O
Structure:
CAS RN: 88142-50-1
CAS Name: 4-(diaminomethylideneamino)benzenecarbothioic acid S-(phenylmethyl) ester hydrochloride
OPENEYE Name: S-benzyl 4-guanidinobenzenecarbothioate hydrochloride
IUPAC Name: S-benzyl 4-(diaminomethylideneamino)benzenecarbothioate hydrochloride
SYSTEMATIC NAME: S-(phenylmethyl) 4-[bis(azanyl)methylideneamino]benzenecarbothioate hydrochloride
MOLECULAR FORMULA: C15H16ClN3OS
MOLECULAR WEIGHT: 321.82504
SMILES: C1=CC=C(C=C1)CSC(=O)C2=CC=C(C=C2)N=C(N)N.Cl
Structure:
CAS RN: 88132-47-2
CAS Name: 4-[2-(dipropylamino)ethyl]-1H-indol-6-ol
OPENEYE Name: 4-[2-(dipropylamino)ethyl]-1H-indol-6-ol
IUPAC Name: 4-[2-(dipropylamino)ethyl]-1H-indol-6-ol
SYSTEMATIC NAME: 4-[2-(dipropylamino)ethyl]-1H-indol-6-ol
MOLECULAR FORMULA: C16H24N2O
MOLECULAR WEIGHT: 260.37456
SMILES: CCCN(CCC)CCC1=CC(=CC2=C1C=CN2)O
Structure:
CAS RN: 94270-93-6
CAS Name: 4-[2-(dipropylamino)ethyl]-1H-indol-6-ol
OPENEYE Name: 4-[2-(dipropylamino)ethyl]-1H-indol-6-ol
IUPAC Name: 4-[2-(dipropylamino)ethyl]-1H-indol-6-ol
SYSTEMATIC NAME: 4-[2-(dipropylamino)ethyl]-1H-indol-6-ol
MOLECULAR FORMULA: C16H24N2O
MOLECULAR WEIGHT: 260.37456
SMILES: CCCN(CCC)CCC1=CC(=CC2=C1C=CN2)O
Structure:
CAS RN: 88127-29-1
CAS Name: 2-[methyl-(3-methyl-1-oxobutyl)amino]acetic acid
OPENEYE Name: 2-[methyl(3-methylbutanoyl)amino]acetic acid
IUPAC Name: 2-[methyl(3-methylbutanoyl)amino]acetic acid
SYSTEMATIC NAME: 2-[methyl(3-methylbutanoyl)amino]ethanoic acid
MOLECULAR FORMULA: C8H15NO3
MOLECULAR WEIGHT: 173.2096
SMILES: CC(C)CC(=O)N(C)CC(=O)O
Structure:
CAS RN: 88114-56-1
CAS Name: N-[(1R,2S)-2-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylformamide
OPENEYE Name: N-[(1R,2S)-2-(3,4-dimethoxyphenyl)-6-isopropoxy-7-methoxy-tetralin-1-yl]-N-methyl-formamide
IUPAC Name: N-[(1R,2S)-2-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylformamide
SYSTEMATIC NAME: N-[(1R,2S)-2-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-methanamide
MOLECULAR FORMULA: C24H31NO5
MOLECULAR WEIGHT: 413.50664
SMILES: CC(C)OC1=C(C=C2[C@@H]([C@@H](CCC2=C1)C3=CC(=C(C=C3)OC)OC)N(C)C=O)OC
Structure:
CAS RN: 88122-33-2
CAS Name: 3-[7-azido-2-(trifluoromethyl)-10-phenothiazinyl]propyl-trimethylammonium iodide
OPENEYE Name: 3-[7-azido-2-(trifluoromethyl)phenothiazin-10-yl]propyl-trimethyl-ammonium iodide
IUPAC Name: 3-[7-azido-2-(trifluoromethyl)phenothiazin-10-yl]propyl-trimethylazanium iodide
SYSTEMATIC NAME: 3-[7-azido-2-(trifluoromethyl)phenothiazin-10-yl]propyl-trimethyl-azanium iodide
MOLECULAR FORMULA: C19H21F3IN5S
MOLECULAR WEIGHT: 535.36822
SMILES: C[N+](C)(C)CCCN1C2=C(C=C(C=C2)N=[N+]=[N-])SC3=C1C=C(C=C3)C(F)(F)F.[I-]
Structure:
CAS RN: 88108-86-5
CAS Name: 3-(2,2-dimethylcyclopropyl)-2,2-dimethyl-1-cyclopropanecarboxylic acid (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl ester
OPENEYE Name: (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 3-(2,2-dimethylcyclopropyl)-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 3-(2,2-dimethylcyclopropyl)-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [1,3-bis(oxidanylidene)-4,5,6,7-tetrahydroisoindol-2-yl]methyl 3-(2,2-dimethylcyclopropyl)-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C20H27NO4
MOLECULAR WEIGHT: 345.43268
SMILES: CC1(CC1C2C(C2(C)C)C(=O)OCN3C(=O)C4=C(C3=O)CCCC4)C
Structure:
CAS RN: 88106-70-1
CAS Name: [[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-3,8-dihydropurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(4-aminophenoxy)-hydroxyphosphoryl] hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-3,8-dihydropurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(4-aminophenoxy)-hydroxy-phosphoryl] hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-3,8-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(4-aminophenoxy)-hydroxyphosphoryl] hydrogen phosphate
SYSTEMATIC NAME: (4-aminophenyl) [[[(2R,3S,4R,5R)-5-(2-azanyl-7-methyl-6-oxidanylidene-3,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate
MOLECULAR FORMULA: C17H25N6O14P3
MOLECULAR WEIGHT: 630.333483
SMILES: CN1CN(C2=C1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC4=CC=C(C=C4)N)O)O
Structure:
CAS RN: 88095-81-2
CAS Name: 4-(3,5-dihydroxyphenoxy)-9-[6-(3,5-dihydroxyphenoxy)-2,4,7,9-tetrahydroxy-1-dibenzo-p-dioxinyl]dibenzo-p-dioxin-1,3,6,8-tetrol
OPENEYE Name: 4-(3,5-dihydroxyphenoxy)-9-[6-(3,5-dihydroxyphenoxy)-2,4,7,9-tetrahydroxy-dibenzo-p-dioxin-1-yl]dibenzo-p-dioxin-1,3,6,8-tetrol
IUPAC Name: 4-(3,5-dihydroxyphenoxy)-9-[6-(3,5-dihydroxyphenoxy)-2,4,7,9-tetrahydroxydibenzo-p-dioxin-1-yl]dibenzo-p-dioxin-1,3,6,8-tetrol
SYSTEMATIC NAME: 4-[3,5-bis(oxidanyl)phenoxy]-9-[6-[3,5-bis(oxidanyl)phenoxy]-2,4,7,9-tetrakis(oxidanyl)dibenzo-p-dioxin-1-yl]dibenzo-p-dioxin-1,3,6,8-tetrol
MOLECULAR FORMULA: C36H22O18
MOLECULAR WEIGHT: 742.54908
SMILES: C1=C(C=C(C=C1O)OC2=C(C=C(C3=C2OC4=C(C=C(C(=C4O3)C5=C6C(=C(C=C5O)O)OC7=C(O6)C(=CC(=C7OC8=CC(=CC(=C8)O)O)O)O)O)O)O)O)O
Structure:
CAS RN: 88090-56-6
CAS Name: 4-(2-mercaptoethylamino)pyridine-2,6-dicarboxylic acid
OPENEYE Name: 4-(2-sulfanylethylamino)pyridine-2,6-dicarboxylic acid
IUPAC Name: 4-(2-sulfanylethylamino)pyridine-2,6-dicarboxylic acid
SYSTEMATIC NAME: 4-(2-sulfanylethylamino)pyridine-2,6-dicarboxylic acid
MOLECULAR FORMULA: C9H10N2O4S
MOLECULAR WEIGHT: 242.2517
SMILES: C1=C(C=C(N=C1C(=O)O)C(=O)O)NCCS
Structure:
CAS RN: 88090-55-5
CAS Name: 4-[2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxopropyl]amino]-2-carboxyethyl]disulfanyl]ethylamino]pyridine-2,6-dicarboxylic acid
OPENEYE Name: 4-[2-[[(2R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-2-carboxy-ethyl]disulfanyl]ethylamino]pyridine-2,6-dicarboxylic acid
IUPAC Name: 4-[2-[[(2R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-2-carboxyethyl]disulfanyl]ethylamino]pyridine-2,6-dicarboxylic acid
SYSTEMATIC NAME: 4-[2-[[(2R)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]ethylamino]pyridine-2,6-dicarboxylic acid
MOLECULAR FORMULA: C18H25N5O8S2
MOLECULAR WEIGHT: 503.5498
SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CSSCCNC1=CC(=NC(=C1)C(=O)O)C(=O)O)C(=O)O)N
Structure:
CAS RN: 88089-34-3
CAS Name: 2,5-dithiophen-2-ylfuran
OPENEYE Name: 2,5-bis(2-thienyl)furan
IUPAC Name: 2,5-dithiophen-2-ylfuran
SYSTEMATIC NAME: 2,5-dithiophen-2-ylfuran
MOLECULAR FORMULA: C12H8OS2
MOLECULAR WEIGHT: 232.32132
SMILES: C1=CSC(=C1)C2=CC=C(O2)C3=CC=CS3
Structure:
CAS RN: 88070-93-3
CAS Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-methyl-1-oxobutoxy)-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-methylbutanoyloxy)tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-methylbutanoyloxy)oxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-(3-methylbutanoyloxy)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C11H18O8
MOLECULAR WEIGHT: 278.25582
SMILES: CC(C)CC(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
Structure:
CAS RN: 88035-46-5
CAS Name: [1-[3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy]-2-(1-oxohexadecoxy)propoxy]-1-oxohexadecan-5-yl]-phosphonooxyphosphinic acid
OPENEYE Name: 1-[4-[3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-2-hexadecanoyloxy-propoxy]-4-oxo-butyl]dodecyl-phosphonooxy-phosphinic acid
IUPAC Name: [1-[3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hexadecanoyloxypropoxy]-1-oxohexadecan-5-yl]-phosphonooxyphosphinic acid
SYSTEMATIC NAME: [1-[3-[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]-2-hexadecanoyloxy-propoxy]-1-oxidanylidene-hexadecan-5-yl]-phosphonooxy-phosphinic acid
MOLECULAR FORMULA: C44H81N3O15P2
MOLECULAR WEIGHT: 954.072562
SMILES: CCCCCCCCCCCCCCCC(=O)OC(COC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)COC(=O)CCCC(CCCCCCCCCCC)P(=O)(O)OP(=O)(O)O
Structure:
CAS RN: 88034-27-9
CAS Name: (4R,4aS,6aR,6aS,6bR,12aR,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(2S)-2-methyl-1-oxobutoxy]-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
OPENEYE Name: (4R,4aS,6aR,6aS,6bR,12aR,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(2S)-2-methylbutanoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
IUPAC Name: (4R,4aS,6aR,6aS,6bR,12aR,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(2S)-2-methylbutanoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
SYSTEMATIC NAME: (4R,4aS,6aR,6aS,6bR,12aR,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(2S)-2-methylbutanoyl]oxy-10-oxidanylidene-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
MOLECULAR FORMULA: C35H54O5
MOLECULAR WEIGHT: 554.80026
SMILES: CC[C@H](C)C(=O)O[C@@H]1CC(C[C@H]2[C@]1(CC[C@@]3(C2=CC[C@H]4[C@]3(CCC5[C@@]4(CCC(=O)C5(C)C)C)C)C)C(=O)O)(C)C
Structure:
CAS RN: 88025-93-8
CAS Name: 2-[4-[[4-(diaminomethylideneamino)phenyl]methoxy]-2-[dimethylamino(oxo)methyl]phenyl]acetic acid methyl ester; sulfuric acid
OPENEYE Name: methyl 2-[2-(dimethylcarbamoyl)-4-[(4-guanidinophenyl)methoxy]phenyl]acetate; sulfuric acid
IUPAC Name: methyl 2-[4-[[4-(diaminomethylideneamino)phenyl]methoxy]-2-(dimethylcarbamoyl)phenyl]acetate; sulfuric acid
SYSTEMATIC NAME: methyl 2-[4-[[4-[bis(azanyl)methylideneamino]phenyl]methoxy]-2-(dimethylcarbamoyl)phenyl]ethanoate; sulfuric acid
MOLECULAR FORMULA: C20H26N4O8S
MOLECULAR WEIGHT: 482.50744
SMILES: CN(C)C(=O)C1=C(C=CC(=C1)OCC2=CC=C(C=C2)N=C(N)N)CC(=O)OC.OS(=O)(=O)O
Structure:
CAS RN: 88002-42-0
CAS Name: N-hydroxy-N-(1-hydroxypropan-2-yl)nitrous amide
OPENEYE Name: N-hydroxy-N-(2-hydroxy-1-methyl-ethyl)nitrous amide
IUPAC Name: N-hydroxy-N-(1-hydroxypropan-2-yl)nitrous amide
SYSTEMATIC NAME: N-oxidanyl-N-(1-oxidanylpropan-2-yl)nitrous amide
MOLECULAR FORMULA: C3H8N2O3
MOLECULAR WEIGHT: 120.10722
SMILES: CC(CO)N(N=O)O
Structure:
CAS RN: 88195-31-7
CAS Name: N-hydroxy-N-(1-hydroxypropan-2-yl)nitrous amide
OPENEYE Name: N-hydroxy-N-(2-hydroxy-1-methyl-ethyl)nitrous amide
IUPAC Name: N-hydroxy-N-(1-hydroxypropan-2-yl)nitrous amide
SYSTEMATIC NAME: N-oxidanyl-N-(1-oxidanylpropan-2-yl)nitrous amide
MOLECULAR FORMULA: C3H8N2O3
MOLECULAR WEIGHT: 120.10722
SMILES: CC(CO)N(N=O)O
Structure:
CAS RN: 87994-68-1
CAS Name: (8R,9S,10S,13S,14S)-10-(aminomethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
OPENEYE Name: (8R,9S,10S,13S,14S)-10-(aminomethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
IUPAC Name: (8R,9S,10S,13S,14S)-10-(aminomethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
SYSTEMATIC NAME: (8R,9S,10S,13S,14S)-10-(aminomethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
MOLECULAR FORMULA: C19H27NO2
MOLECULAR WEIGHT: 301.42318
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@]34CN
Structure:
CAS RN: 87988-85-0
CAS Name: 2,2,5,11-tetramethyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole-2,6-diium hydroxide
OPENEYE Name: 2,2,5,11-tetramethyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole-2,6-diium hydroxide
IUPAC Name: 2,2,5,11-tetramethyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole-2,6-diium hydroxide
SYSTEMATIC NAME: 2,2,5,11-tetramethyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole-2,6-diium hydroxide
MOLECULAR FORMULA: C19H25N2O+
MOLECULAR WEIGHT: 297.4146
SMILES: CC1=C2C(=C(C3=C1CC[N+](C3)(C)C)C)C4=CC=CC=C4[NH2+]2.[OH-]
Structure:
CAS RN: 87976-77-0
CAS Name: sulfuric acid 7-benzo[a]anthracenylmethyl ester
OPENEYE Name: benzo[a]anthracen-7-ylmethyl hydrogen sulfate
IUPAC Name: benzo[a]anthracen-7-ylmethyl hydrogen sulfate
SYSTEMATIC NAME: benzo[a]anthracen-7-ylmethyl hydrogen sulfate
MOLECULAR FORMULA: C19H14O4S
MOLECULAR WEIGHT: 338.37706
SMILES: C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)COS(=O)(=O)O
Structure:
CAS RN: 87963-80-2
CAS Name: 1-[4-[4-(dimethylamino)phenyl]azophenyl]pyrrole-2,5-dione
OPENEYE Name: 1-[4-[4-(dimethylamino)phenyl]azophenyl]pyrrole-2,5-dione
IUPAC Name: 1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]pyrrole-2,5-dione
SYSTEMATIC NAME: 1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]pyrrole-2,5-dione
MOLECULAR FORMULA: C18H16N4O2
MOLECULAR WEIGHT: 320.34524
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)C=CC3=O
Structure:
CAS RN: 87936-24-1
CAS Name: 6-methyl-2-pyridinamine; palladium(2+); dichloride
OPENEYE Name: 6-methylpyridin-2-amine; palladium(2+); dichloride
IUPAC Name: 6-methylpyridin-2-amine; palladium(2+); dichloride
SYSTEMATIC NAME: 6-methylpyridin-2-amine; palladium(2+); dichloride
MOLECULAR FORMULA: C6H8Cl2N2Pd
MOLECULAR WEIGHT: 285.46712
SMILES: CC1=NC(=CC=C1)N.[Cl-].[Cl-].[Pd+2]
Structure:
CAS RN: 87922-67-6
CAS Name: 2-tert-butyl-7-(2,4-dichlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
OPENEYE Name: 2-tert-butyl-7-(2,4-dichlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
IUPAC Name: 2-tert-butyl-7-(2,4-dichlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
SYSTEMATIC NAME: 2-tert-butyl-7-(2,4-dichlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
MOLECULAR FORMULA: C19H27Cl2NO
MOLECULAR WEIGHT: 356.32978
SMILES: CC(C)(C)C1(CCN2CC(CCC2C1)C3=C(C=C(C=C3)Cl)Cl)O
Structure:
CAS RN: 87896-53-5
CAS Name: 7-(2-carboxyethyl)-9-hydroxy-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
OPENEYE Name: 7-(2-carboxyethyl)-9-hydroxy-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
IUPAC Name: 7-(2-carboxyethyl)-9-hydroxy-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
SYSTEMATIC NAME: 7-(3-hydroxy-3-oxopropyl)-9-oxidanyl-6-oxidanylidene-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
MOLECULAR FORMULA: C13H15NO6
MOLECULAR WEIGHT: 281.2613
SMILES: C1CC(N2C(=C(C=C(C2=O)CCC(=O)O)O)C1)C(=O)O
Structure:
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