CAS RN: 75639-72-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H37NO4
MOLECULAR WEIGHT: 403.55488
SMILES: CCC12CCN(C(C1(C)C)CC3=C2C=C(C=C3)O)CC4CCC4.CC(C(=O)O)O
Structure:
CAS RN: 75449-08-0
CAS Name: 1-[4-methyl-2-(methylthio)-5-thiazolyl]-3-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone
OPENEYE Name: 1-(4-methyl-2-methylsulfanyl-thiazol-5-yl)-3-[4-(2-pyridyl)piperazin-1-yl]propan-1-one
IUPAC Name: 1-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SYSTEMATIC NAME: 1-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
MOLECULAR FORMULA: C17H22N4OS2
MOLECULAR WEIGHT: 362.51278
SMILES: CC1=C(SC(=N1)SC)C(=O)CCN2CCN(CC2)C3=CC=CC=N3
Structure:
CAS RN: 75449-08-0
CAS Name: 1-[4-methyl-2-(methylthio)-5-thiazolyl]-3-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone dihydrochloride
OPENEYE Name: 1-(4-methyl-2-methylsulfanyl-thiazol-5-yl)-3-[4-(2-pyridyl)piperazin-1-yl]propan-1-one dihydrochloride
IUPAC Name: 1-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one dihydrochloride
SYSTEMATIC NAME: 1-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one dihydrochloride
MOLECULAR FORMULA: C17H24Cl2N4OS2
MOLECULAR WEIGHT: 435.43466
SMILES: CC1=C(SC(=N1)SC)C(=O)CCN2CCN(CC2)C3=CC=CC=N3.Cl.Cl
Structure:
CAS RN: 75449-07-9
CAS Name: 1-[4-methyl-2-(methylthio)-5-thiazolyl]-3-(4-morpholinyl)-1-propanone hydrochloride
OPENEYE Name: 1-(4-methyl-2-methylsulfanyl-thiazol-5-yl)-3-morpholino-propan-1-one hydrochloride
IUPAC Name: 1-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one hydrochloride
SYSTEMATIC NAME: 1-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-3-morpholin-4-yl-propan-1-one hydrochloride
MOLECULAR FORMULA: C12H19ClN2O2S2
MOLECULAR WEIGHT: 322.87446
SMILES: CC1=C(SC(=N1)SC)C(=O)CCN2CCOCC2.Cl
Structure:
CAS RN: 75074-70-3
CAS Name: ammonium N,N-bis(2-hydroxyethyl)carbamodithioate
OPENEYE Name: ammonium N,N-bis(2-hydroxyethyl)carbamodithioate
IUPAC Name: azanium N,N-bis(2-hydroxyethyl)carbamodithioate
SYSTEMATIC NAME: azanium N,N-bis(2-hydroxyethyl)carbamodithioate
MOLECULAR FORMULA: C5H14N2O2S2
MOLECULAR WEIGHT: 198.30686
SMILES: C(CO)N(CCO)C(=S)[S-].[NH4+]
Structure:
CAS RN: 75045-72-6
CAS Name: copper zinc 2-(1,1,2,2-tetrachloroethylthio)-3a,4,7,7a-tetrahydroisoindole-1,3-dione dihydroxide sulfate
OPENEYE Name: copper zinc 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione dihydroxide sulfate
IUPAC Name: copper zinc 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione dihydroxide sulfate
SYSTEMATIC NAME: copper zinc 2-[1,1,2,2-tetrakis(chloranyl)ethylsulfanyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione dihydroxide sulfate
MOLECULAR FORMULA: C10H11Cl4CuNO8S2Zn
MOLECULAR WEIGHT: 608.09324
SMILES: C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl.[OH-].[OH-].[O-]S(=O)(=O)[O-].[Cu+2].[Zn+2]
Structure:
CAS RN: 75016-36-3
CAS Name: N-butyl-N-(trideuteriomethyl)nitrous amide
OPENEYE Name: N-butyl-N-(trideuteriomethyl)nitrous amide
IUPAC Name: N-butyl-N-(trideuteriomethyl)nitrous amide
SYSTEMATIC NAME: N-butyl-N-(trideuteriomethyl)nitrous amide
MOLECULAR FORMULA: C5H12N2O
MOLECULAR WEIGHT: 119.180065
SMILES: [2H]C([2H])([2H])N(CCCC)N=O
Structure:
CAS RN: 75016-34-1
CAS Name: N-(1,1-dideuteriobutyl)-N-methylnitrous amide
OPENEYE Name: N-(1,1-dideuteriobutyl)-N-methyl-nitrous amide
IUPAC Name: N-(1,1-dideuteriobutyl)-N-methylnitrous amide
SYSTEMATIC NAME: N-(1,1-dideuteriobutyl)-N-methyl-nitrous amide
MOLECULAR FORMULA: C5H12N2O
MOLECULAR WEIGHT: 118.173904
SMILES: [2H]C([2H])(CCC)N(C)N=O
Structure:
CAS RN: 74926-87-7
CAS Name: 2,6-di(butan-2-yl)-4-methylphenol
OPENEYE Name: 4-methyl-2,6-disec-butyl-phenol
IUPAC Name: 2,6-di(butan-2-yl)-4-methylphenol
SYSTEMATIC NAME: 2,6-di(butan-2-yl)-4-methyl-phenol
MOLECULAR FORMULA: C15H24O
MOLECULAR WEIGHT: 220.35046
SMILES: CCC(C)C1=CC(=CC(=C1O)C(C)CC)C
Structure:
CAS RN: 74696-73-4
CAS Name: N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]propanamide
OPENEYE Name: N-[4-(2,2,2-trifluoro-1-hydroxy-ethyl)phenyl]propanamide
IUPAC Name: N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]propanamide
SYSTEMATIC NAME: N-[4-[2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]phenyl]propanamide
MOLECULAR FORMULA: C11H12F3NO2
MOLECULAR WEIGHT: 247.21369
SMILES: CCC(=O)NC1=CC=C(C=C1)C(C(F)(F)F)O
Structure:
CAS RN: 74038-05-4
CAS Name: 1,4-bis(1,3-dithiolan-2-ylidene)piperazine-1,4-diium
OPENEYE Name: 1,4-bis(1,3-dithiolan-2-ylidene)piperazine-1,4-diium
IUPAC Name: 1,4-bis(1,3-dithiolan-2-ylidene)piperazine-1,4-diium
SYSTEMATIC NAME: 1,4-bis(1,3-dithiolan-2-ylidene)piperazine-1,4-diium
MOLECULAR FORMULA: C10H16N2S4+2
MOLECULAR WEIGHT: 292.50744
SMILES: C1C[N+](=C2SCCS2)CC[N+]1=C3SCCS3
Structure:
CAS RN: 74038-05-4
CAS Name: 1,4-bis(1,3-dithiolan-2-ylidene)piperazine-1,4-diium dibromide
OPENEYE Name: 1,4-bis(1,3-dithiolan-2-ylidene)piperazine-1,4-diium dibromide
IUPAC Name: 1,4-bis(1,3-dithiolan-2-ylidene)piperazine-1,4-diium dibromide
SYSTEMATIC NAME: 1,4-bis(1,3-dithiolan-2-ylidene)piperazine-1,4-diium dibromide
MOLECULAR FORMULA: C10H16Br2N2S4
MOLECULAR WEIGHT: 452.31544
SMILES: C1C[N+](=C2SCCS2)CC[N+]1=C3SCCS3.[Br-].[Br-]
Structure:
CAS RN: 73927-14-7
CAS Name: (3-amino-3-carboxypropyl)-dimethylsulfonium; methyl sulfate
OPENEYE Name: (3-amino-3-carboxy-propyl)-dimethyl-sulfonium; methyl sulfate
IUPAC Name: (3-amino-3-carboxypropyl)-dimethylsulfanium; methyl sulfate
SYSTEMATIC NAME: (3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-dimethyl-sulfanium; methyl sulfate
MOLECULAR FORMULA: C7H17NO6S2
MOLECULAR WEIGHT: 275.34298
SMILES: COS(=O)(=O)[O-].C[S+](C)CCC(C(=O)O)N
Structure:
CAS RN: 73866-23-6
CAS Name: 5-(2-bromo-1-oxoethyl)-2-hydroxybenzamide
OPENEYE Name: 5-(2-bromoacetyl)-2-hydroxy-benzamide
IUPAC Name: 5-(2-bromoacetyl)-2-hydroxybenzamide
SYSTEMATIC NAME: 5-(2-bromanylethanoyl)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C9H8BrNO3
MOLECULAR WEIGHT: 258.06872
SMILES: C1=CC(=C(C=C1C(=O)CBr)C(=O)N)O
Structure:
CAS RN: 73806-55-0
CAS Name: 1-(3-methoxyphenyl)-2-(methylaminomethyl)-1-cyclohexanol
OPENEYE Name: 1-(3-methoxyphenyl)-2-(methylaminomethyl)cyclohexanol
IUPAC Name: 1-(3-methoxyphenyl)-2-(methylaminomethyl)cyclohexan-1-ol
SYSTEMATIC NAME: 1-(3-methoxyphenyl)-2-(methylaminomethyl)cyclohexan-1-ol
MOLECULAR FORMULA: C15H23NO2
MOLECULAR WEIGHT: 249.34862
SMILES: CNCC1CCCCC1(C2=CC(=CC=C2)OC)O
Structure:
CAS RN: 73805-86-4
CAS Name: (4-nitrophenyl)methyl-triphenylphosphonium iodide
OPENEYE Name: (4-nitrophenyl)methyl-triphenyl-phosphonium iodide
IUPAC Name: (4-nitrophenyl)methyl-triphenylphosphanium iodide
SYSTEMATIC NAME: (4-nitrophenyl)methyl-triphenyl-phosphanium iodide
MOLECULAR FORMULA: C25H21INO2P
MOLECULAR WEIGHT: 525.317971
SMILES: C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4.[I-]
Structure:
CAS RN: 73728-41-3
CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid 2-(4-morpholinyl)ethyl ester
OPENEYE Name: 2-morpholinoethyl 2-oxochromene-3-carboxylate
IUPAC Name: 2-morpholin-4-ylethyl 2-oxochromene-3-carboxylate
SYSTEMATIC NAME: 2-morpholin-4-ylethyl 2-oxidanylidenechromene-3-carboxylate
MOLECULAR FORMULA: C16H17NO5
MOLECULAR WEIGHT: 303.30988
SMILES: C1COCCN1CCOC(=O)C2=CC3=CC=CC=C3OC2=O
Structure:
CAS RN: 73728-41-3
CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid 2-(4-morpholinyl)ethyl ester hydrochloride
OPENEYE Name: 2-morpholinoethyl 2-oxochromene-3-carboxylate hydrochloride
IUPAC Name: 2-morpholin-4-ylethyl 2-oxochromene-3-carboxylate hydrochloride
SYSTEMATIC NAME: 2-morpholin-4-ylethyl 2-oxidanylidenechromene-3-carboxylate hydrochloride
MOLECULAR FORMULA: C16H18ClNO5
MOLECULAR WEIGHT: 339.77082
SMILES: C1COCCN1CCOC(=O)C2=CC3=CC=CC=C3OC2=O.Cl
Structure:
CAS RN: 73553-70-5
CAS Name: 4-[(4-phenoxyphenyl)methyl]-2-(1-piperazinyl)thiazole hydrochloride
OPENEYE Name: 4-[(4-phenoxyphenyl)methyl]-2-piperazin-1-yl-thiazole hydrochloride
IUPAC Name: 4-[(4-phenoxyphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole hydrochloride
SYSTEMATIC NAME: 4-[(4-phenoxyphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole hydrochloride
MOLECULAR FORMULA: C20H22ClN3OS
MOLECULAR WEIGHT: 387.92618
SMILES: C1CN(CCN1)C2=NC(=CS2)CC3=CC=C(C=C3)OC4=CC=CC=C4.Cl
Structure:
CAS RN: 73428-17-8
CAS Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chroman-3-yl]-3,5,7-trihydroxy-chroman-4-one
IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: (2R,3R)-2-[3,4-bis(oxidanyl)phenyl]-8-[(2S,3R)-2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl]-3,5,7-tris(oxidanyl)-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C30H22O13
MOLECULAR WEIGHT: 590.48788
SMILES: C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4O[C@@H]([C@H](C5=O)O)C6=CC(=C(C=C6)O)O)O)O)O)O
Structure:
CAS RN: 73419-42-8
CAS Name: cadmium(2+); 3-(2-sulfido-1H-imidazol-5-yl)-2-(trimethylammonio)propanoate
OPENEYE Name: cadmium(2+); 3-(2-sulfido-1H-imidazol-5-yl)-2-(trimethylammonio)propanoate
IUPAC Name: cadmium(2+); 3-(2-sulfido-1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate
SYSTEMATIC NAME: cadmium(2+); 3-(2-sulfanidyl-1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate
MOLECULAR FORMULA: C18H28CdN6O4S2
MOLECULAR WEIGHT: 568.99372
SMILES: C[N+](C)(C)C(CC1=CN=C(N1)[S-])C(=O)[O-].C[N+](C)(C)C(CC1=CN=C(N1)[S-])C(=O)[O-].[Cd+2]
Structure:
CAS RN: 73341-70-5
CAS Name: acetic acid (3,6-dihydroxy-8-methoxy-2-methyl-5,10-dioxo-3,4-dihydro-2H-benzo[g][1]benzopyran-4-yl) ester
OPENEYE Name: (3,6-dihydroxy-8-methoxy-2-methyl-5,10-dioxo-3,4-dihydro-2H-benzo[g]chromen-4-yl) acetate
IUPAC Name: (3,6-dihydroxy-8-methoxy-2-methyl-5,10-dioxo-3,4-dihydro-2H-benzo[g]chromen-4-yl) acetate
SYSTEMATIC NAME: [8-methoxy-2-methyl-3,6-bis(oxidanyl)-5,10-bis(oxidanylidene)-3,4-dihydro-2H-benzo[g]chromen-4-yl] ethanoate
MOLECULAR FORMULA: C17H16O8
MOLECULAR WEIGHT: 348.30414
SMILES: CC1C(C(C2=C(O1)C(=O)C3=CC(=CC(=C3C2=O)O)OC)OC(=O)C)O
Structure:
CAS RN: 73175-10-7
CAS Name: (2R)-2-[[2-(diethoxyphosphorylthio)-1-oxoethyl]amino]-3-methylbutanoic acid ethyl ester
OPENEYE Name: ethyl (2R)-2-[(2-diethoxyphosphorylsulfanylacetyl)amino]-3-methyl-butanoate
IUPAC Name: ethyl (2R)-2-[(2-diethoxyphosphorylsulfanylacetyl)amino]-3-methylbutanoate
SYSTEMATIC NAME: ethyl (2R)-2-(2-diethoxyphosphorylsulfanylethanoylamino)-3-methyl-butanoate
MOLECULAR FORMULA: C13H26NO6PS
MOLECULAR WEIGHT: 355.387401
SMILES: CCOC(=O)[C@@H](C(C)C)NC(=O)CSP(=O)(OCC)OCC
Structure:
CAS RN: 73175-09-4
CAS Name: (2R)-2-[[2-(diethoxyphosphinothioylthio)-1-oxoethyl]amino]-3-methylbutanoic acid ethyl ester
OPENEYE Name: ethyl (2R)-2-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]-3-methyl-butanoate
IUPAC Name: ethyl (2R)-2-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]-3-methylbutanoate
SYSTEMATIC NAME: ethyl (2R)-2-(2-diethoxyphosphinothioylsulfanylethanoylamino)-3-methyl-butanoate
MOLECULAR FORMULA: C13H26NO5PS2
MOLECULAR WEIGHT: 371.453001
SMILES: CCOC(=O)[C@@H](C(C)C)NC(=O)CSP(=S)(OCC)OCC
Structure:
CAS RN: 62655-79-2
CAS Name: 6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine; 6-chloro-N2,N4-di(propan-2-yl)-1,3,5-triazine-2,4-diamine; 6-chloro-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine; 6-chloro-N2,N4-diisopropyl-1,3,5-triazine-2,4-diamine; 6-chloro-N4-ethyl-N2-isopropyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine; 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine; 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-chloranyl-N2,N4-diethyl-1,3,5-triazine-2,4-diamine; 6-chloranyl-N2,N4-di(propan-2-yl)-1,3,5-triazine-2,4-diamine; 6-chloranyl-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C24H42Cl3N15
MOLECULAR WEIGHT: 647.04978
SMILES: CCNC1=NC(=NC(=N1)Cl)NCC.CCNC1=NC(=NC(=N1)Cl)NC(C)C.CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C
Structure:
CAS RN: 72172-70-4
CAS Name: 6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine; 6-chloro-N2,N4-di(propan-2-yl)-1,3,5-triazine-2,4-diamine; 6-chloro-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine; 6-chloro-N2,N4-diisopropyl-1,3,5-triazine-2,4-diamine; 6-chloro-N4-ethyl-N2-isopropyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine; 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine; 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-chloranyl-N2,N4-diethyl-1,3,5-triazine-2,4-diamine; 6-chloranyl-N2,N4-di(propan-2-yl)-1,3,5-triazine-2,4-diamine; 6-chloranyl-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C24H42Cl3N15
MOLECULAR WEIGHT: 647.04978
SMILES: CCNC1=NC(=NC(=N1)Cl)NCC.CCNC1=NC(=NC(=N1)Cl)NC(C)C.CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C
Structure:
CAS RN: 72122-60-2
CAS Name: 1-(2-chloroethyl)-3-(4-morpholinyl)-1-nitrosourea
OPENEYE Name: 1-(2-chloroethyl)-3-morpholino-1-nitroso-urea
IUPAC Name: 1-(2-chloroethyl)-3-morpholin-4-yl-1-nitrosourea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-morpholin-4-yl-1-nitroso-urea
MOLECULAR FORMULA: C7H13ClN4O3
MOLECULAR WEIGHT: 236.65612
SMILES: C1COCCN1NC(=O)N(CCCl)N=O
Structure:
CAS RN: 67737-62-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H12O3
MOLECULAR WEIGHT: 228.24328
SMILES: C1=CC=C2C(=C1)C=CC3=C2[C@H]4[C@H](O4)[C@@H]([C@H]3O)O
Structure:
CAS RN: 72074-68-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H12O3
MOLECULAR WEIGHT: 228.24328
SMILES: C1=CC=C2C(=C1)C=CC3=C2[C@H]4[C@H](O4)[C@@H]([C@H]3O)O
Structure:
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