CAS RN: 20984-81-0
CAS Name: N,N-diethyl-3-pyrrolidinamine
OPENEYE Name: N,N-diethylpyrrolidin-3-amine
IUPAC Name: N,N-diethylpyrrolidin-3-amine
SYSTEMATIC NAME: N,N-diethylpyrrolidin-3-amine
MOLECULAR FORMULA: C8H18N2
MOLECULAR WEIGHT: 142.24192
SMILES: CCN(CC)C1CCNC1
Structure:
CAS RN: 52526-10-0
CAS Name: 5-methoxycarbonyl-1-oxido-2-pyridin-1-iumcarboxylic acid
OPENEYE Name: 5-methoxycarbonyl-1-oxido-pyridin-1-ium-2-carboxylic acid
IUPAC Name: 5-methoxycarbonyl-1-oxidopyridin-1-ium-2-carboxylic acid
SYSTEMATIC NAME: 5-methoxycarbonyl-1-oxidanidyl-pyridin-1-ium-2-carboxylic acid
MOLECULAR FORMULA: C8H7NO5
MOLECULAR WEIGHT: 197.14488
SMILES: COC(=O)C1=C[N+](=C(C=C1)C(=O)O)[O-]
Structure:
CAS RN: 135795-51-6
CAS Name: 2-bromo-6-methoxy-4-methyl-3-pyridinamine
OPENEYE Name: 2-bromo-6-methoxy-4-methyl-pyridin-3-amine
IUPAC Name: 2-bromo-6-methoxy-4-methylpyridin-3-amine
SYSTEMATIC NAME: 2-bromanyl-6-methoxy-4-methyl-pyridin-3-amine
MOLECULAR FORMULA: C7H9BrN2O
MOLECULAR WEIGHT: 217.06316
SMILES: CC1=CC(=NC(=C1N)Br)OC
Structure:
CAS RN: 89026-61-9
CAS Name: 4-(phenylmethyl)-1-piperazinecarboxamide hydrochloride
OPENEYE Name: 4-benzylpiperazine-1-carboxamide hydrochloride
IUPAC Name: 4-benzylpiperazine-1-carboxamide hydrochloride
SYSTEMATIC NAME: 4-(phenylmethyl)piperazine-1-carboxamide hydrochloride
MOLECULAR FORMULA: C12H18ClN3O
MOLECULAR WEIGHT: 255.74382
SMILES: C1CN(CCN1CC2=CC=CC=C2)C(=O)N.Cl
Structure:
CAS RN: 151098-14-5
CAS Name: 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
IUPAC Name: ethyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
MOLECULAR FORMULA: C12H12N2O4
MOLECULAR WEIGHT: 248.23468
SMILES: CCOC(=O)C1=NOC(=N1)C2=CC=C(C=C2)OC
Structure:
CAS RN: 1204580-73-3
CAS Name: tributyl-(2-chloro-4-pyridinyl)stannane
OPENEYE Name: tributyl-(2-chloro-4-pyridyl)stannane
IUPAC Name: tributyl-(2-chloropyridin-4-yl)stannane
SYSTEMATIC NAME: tributyl-(2-chloranylpyridin-4-yl)stannane
MOLECULAR FORMULA: C17H30ClNSn
MOLECULAR WEIGHT: 402.5898
SMILES: CCCC[Sn](CCCC)(CCCC)C1=CC(=NC=C1)Cl
Structure:
CAS RN: 98955-27-2
CAS Name: [4-(methoxymethyl)cyclohexyl]methanol
OPENEYE Name: [4-(methoxymethyl)cyclohexyl]methanol
IUPAC Name: [4-(methoxymethyl)cyclohexyl]methanol
SYSTEMATIC NAME: [4-(methoxymethyl)cyclohexyl]methanol
MOLECULAR FORMULA: C9H18O2
MOLECULAR WEIGHT: 158.23802
SMILES: COCC1CCC(CC1)CO
Structure:
CAS RN: 18496-38-3
CAS Name: iridium(3+) trinitrate
OPENEYE Name: iridium(3+) trinitrate
IUPAC Name: iridium(3+) trinitrate
SYSTEMATIC NAME: iridium(3+) trinitrate
MOLECULAR FORMULA: IrN3O9
MOLECULAR WEIGHT: 378.2317
SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ir+3]
Structure:
CAS RN: 896160-47-7
CAS Name: 1,3,3-trimethyl-2-oxo-5-indolecarboxylic acid
OPENEYE Name: 1,3,3-trimethyl-2-oxo-indoline-5-carboxylic acid
IUPAC Name: 1,3,3-trimethyl-2-oxoindole-5-carboxylic acid
SYSTEMATIC NAME: 1,3,3-trimethyl-2-oxidanylidene-indole-5-carboxylic acid
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: CC1(C2=C(C=CC(=C2)C(=O)O)N(C1=O)C)C
Structure:
CAS RN: 138698-35-8
CAS Name: N-methyl-N-(7-methyloctyl)-1-decanamine
OPENEYE Name: N-methyl-N-(7-methyloctyl)decan-1-amine
IUPAC Name: N-methyl-N-(7-methyloctyl)decan-1-amine
SYSTEMATIC NAME: N-methyl-N-(7-methyloctyl)decan-1-amine
MOLECULAR FORMULA: C20H43N
MOLECULAR WEIGHT: 297.56212
SMILES: CCCCCCCCCCN(C)CCCCCCC(C)C
Structure:
CAS RN: 936841-70-2
CAS Name: 3-bromo-4-(trifluoromethyl)pyridine
OPENEYE Name: 3-bromo-4-(trifluoromethyl)pyridine
IUPAC Name: 3-bromo-4-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 3-bromanyl-4-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C6H3BrF3N
MOLECULAR WEIGHT: 225.99393
SMILES: C1=CN=CC(=C1C(F)(F)F)Br
Structure:
CAS RN: 128093-63-0
CAS Name: triethoxy(2-tributylstannylethyl)silane
OPENEYE Name: triethoxy(2-tributylstannylethyl)silane
IUPAC Name: triethoxy(2-tributylstannylethyl)silane
SYSTEMATIC NAME: triethoxy(2-tributylstannylethyl)silane
MOLECULAR FORMULA: C20H46O3SiSn
MOLECULAR WEIGHT: 481.37294
SMILES: CCCC[Sn](CCCC)(CCCC)CC[Si](OCC)(OCC)OCC
Structure:
CAS RN: 5332-84-3
CAS Name: 4-bromo-N,N-diethyl-1-pentanamine hydrobromide
OPENEYE Name: 4-bromo-N,N-diethyl-pentan-1-amine hydrobromide
IUPAC Name: 4-bromo-N,N-diethylpentan-1-amine hydrobromide
SYSTEMATIC NAME: 4-bromanyl-N,N-diethyl-pentan-1-amine hydrobromide
MOLECULAR FORMULA: C9H21Br2N
MOLECULAR WEIGHT: 303.07774
SMILES: CCN(CC)CCCC(C)Br.Br
Structure:
CAS RN: 70206-12-1
CAS Name: 2,3-bis[(2-amino-2-carboxyethyl)thio]butanedioic acid
OPENEYE Name: 2,3-bis[(2-amino-2-carboxy-ethyl)sulfanyl]butanedioic acid
IUPAC Name: 2,3-bis[(2-amino-2-carboxyethyl)sulfanyl]butanedioic acid
SYSTEMATIC NAME: 2,3-bis[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl]butanedioic acid
MOLECULAR FORMULA: C10H16N2O8S2
MOLECULAR WEIGHT: 356.37264
SMILES: C(C(C(=O)O)N)SC(C(C(=O)O)SCC(C(=O)O)N)C(=O)O
Structure:
CAS RN: 271-52-3
CAS Name: 1H-pyrazolo[4,3-c]pyridine
OPENEYE Name: 1H-pyrazolo[4,3-c]pyridine
IUPAC Name: 1H-pyrazolo[4,3-c]pyridine
SYSTEMATIC NAME: 1H-pyrazolo[4,3-c]pyridine
MOLECULAR FORMULA: C6H5N3
MOLECULAR WEIGHT: 119.124
SMILES: C1=CN=CC2=C1NN=C2
Structure:
CAS RN: 156118-16-0
CAS Name: 6-bromo-4-methyl-3-pyridinamine
OPENEYE Name: 6-bromo-4-methyl-pyridin-3-amine
IUPAC Name: 6-bromo-4-methylpyridin-3-amine
SYSTEMATIC NAME: 6-bromanyl-4-methyl-pyridin-3-amine
MOLECULAR FORMULA: C6H7BrN2
MOLECULAR WEIGHT: 187.03718
SMILES: CC1=CC(=NC=C1N)Br
Structure:
CAS RN: 23056-45-3
CAS Name: 2-bromo-4-methyl-3-nitropyridine
OPENEYE Name: 2-bromo-4-methyl-3-nitro-pyridine
IUPAC Name: 2-bromo-4-methyl-3-nitropyridine
SYSTEMATIC NAME: 2-bromanyl-4-methyl-3-nitro-pyridine
MOLECULAR FORMULA: C6H5BrN2O2
MOLECULAR WEIGHT: 217.0201
SMILES: CC1=C(C(=NC=C1)Br)[N+](=O)[O-]
Structure:
CAS RN: 2243-64-3
CAS Name: naphthalene-1,7-diamine
OPENEYE Name: naphthalene-1,7-diamine
IUPAC Name: naphthalene-1,7-diamine
SYSTEMATIC NAME: naphthalene-1,7-diamine
MOLECULAR FORMULA: C10H10N2
MOLECULAR WEIGHT: 158.1998
SMILES: C1=CC2=C(C=C(C=C2)N)C(=C1)N
Structure:
CAS RN: 19856-32-7
CAS Name: barium(2+); decanedioate
OPENEYE Name: barium(2+); decanedioate
IUPAC Name: barium(2+); decanedioate
SYSTEMATIC NAME: barium(2+); decanedioate
MOLECULAR FORMULA: C10H16BaO4
MOLECULAR WEIGHT: 337.55864
SMILES: C(CCCCC(=O)[O-])CCCC(=O)[O-].[Ba+2]
Structure:
CAS RN: 147837-52-3
CAS Name: 3-[[2-[(2-acetamido-3-methyl-1-oxobutyl)amino]-1-oxopropyl]amino]-4-oxobutanoic acid
OPENEYE Name: 3-[2-[(2-acetamido-3-methyl-butanoyl)amino]propanoylamino]-4-oxo-butanoic acid
IUPAC Name: 3-[2-[(2-acetamido-3-methylbutanoyl)amino]propanoylamino]-4-oxobutanoic acid
SYSTEMATIC NAME: 3-[2-[(2-acetamido-3-methyl-butanoyl)amino]propanoylamino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C14H23N3O6
MOLECULAR WEIGHT: 329.34892
SMILES: CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C=O)NC(=O)C
Structure:
CAS RN: 144675-82-1
CAS Name: 8-imidazo[1,2-a]pyridinecarboxamide
OPENEYE Name: imidazo[1,2-a]pyridine-8-carboxamide
IUPAC Name: imidazo[1,2-a]pyridine-8-carboxamide
SYSTEMATIC NAME: imidazo[1,2-a]pyridine-8-carboxamide
MOLECULAR FORMULA: C8H7N3O
MOLECULAR WEIGHT: 161.16068
SMILES: C1=CN2C=CN=C2C(=C1)C(=O)N
Structure:
CAS RN: 27522-25-4
CAS Name: 5-ethoxypyrimidine
OPENEYE Name: 5-ethoxypyrimidine
IUPAC Name: 5-ethoxypyrimidine
SYSTEMATIC NAME: 5-ethoxypyrimidine
MOLECULAR FORMULA: C6H8N2O
MOLECULAR WEIGHT: 124.14052
SMILES: CCOC1=CN=CN=C1
Structure:
CAS RN: 149451-95-6
CAS Name: 1-bromo-4-(4-butylphenyl)-2-fluorobenzene
OPENEYE Name: 1-bromo-4-(4-butylphenyl)-2-fluoro-benzene
IUPAC Name: 1-bromo-4-(4-butylphenyl)-2-fluorobenzene
SYSTEMATIC NAME: 1-bromanyl-4-(4-butylphenyl)-2-fluoranyl-benzene
MOLECULAR FORMULA: C16H16BrF
MOLECULAR WEIGHT: 307.200643
SMILES: CCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)Br)F
Structure:
CAS RN: 69389-13-5
CAS Name: 4,5-dimethyl-2-(1-piperazinyl)thiazole
OPENEYE Name: 4,5-dimethyl-2-piperazin-1-yl-thiazole
IUPAC Name: 4,5-dimethyl-2-piperazin-1-yl-1,3-thiazole
SYSTEMATIC NAME: 4,5-dimethyl-2-piperazin-1-yl-1,3-thiazole
MOLECULAR FORMULA: C9H15N3S
MOLECULAR WEIGHT: 197.3005
SMILES: CC1=C(SC(=N1)N2CCNCC2)C
Structure:
CAS RN: 94134-12-0
CAS Name: 1-[6-(2,4-dioxo-1-imidazolidinyl)hexyl]imidazolidine-2,4-dione
OPENEYE Name: 1-[6-(2,4-dioxoimidazolidin-1-yl)hexyl]imidazolidine-2,4-dione
IUPAC Name: 1-[6-(2,4-dioxoimidazolidin-1-yl)hexyl]imidazolidine-2,4-dione
SYSTEMATIC NAME: 1-[6-[2,4-bis(oxidanylidene)imidazolidin-1-yl]hexyl]imidazolidine-2,4-dione
MOLECULAR FORMULA: C12H18N4O4
MOLECULAR WEIGHT: 282.29572
SMILES: C1C(=O)NC(=O)N1CCCCCCN2CC(=O)NC2=O
Structure:
CAS RN: 131812-49-2
CAS Name: 7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene
OPENEYE Name: 7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-tetralin
IUPAC Name: 7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene
SYSTEMATIC NAME: 7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene
MOLECULAR FORMULA: C20H32O2
MOLECULAR WEIGHT: 304.46688
SMILES: CCOC(C1=CC2=C(C=C1)C(CC(C2(C)C)C)(C)C)OCC
Structure:
CAS RN: 131812-48-1
CAS Name: 2-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane
OPENEYE Name: 2-(1,1,2,4,4,7-hexamethyltetralin-6-yl)-2,4-dimethyl-1,3-dioxolane
IUPAC Name: 2-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane
SYSTEMATIC NAME: 2-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane
MOLECULAR FORMULA: C21H32O2
MOLECULAR WEIGHT: 316.47758
SMILES: CC1CC(C2=CC(=C(C=C2C1(C)C)C)C3(OCC(O3)C)C)(C)C
Structure:
CAS RN: 100937-52-8
CAS Name: 2-(1,2-dihydroxyethyl)pyrrolidine-3,4-diol hydrochloride
OPENEYE Name: 2-(1,2-dihydroxyethyl)pyrrolidine-3,4-diol hydrochloride
IUPAC Name: 2-(1,2-dihydroxyethyl)pyrrolidine-3,4-diol hydrochloride
SYSTEMATIC NAME: 2-[1,2-bis(oxidanyl)ethyl]pyrrolidine-3,4-diol hydrochloride
MOLECULAR FORMULA: C6H14ClNO4
MOLECULAR WEIGHT: 199.63266
SMILES: C1C(C(C(N1)C(CO)O)O)O.Cl
Structure:
CAS RN: 892127-08-1
CAS Name: 1-(2-amino-3-thiophenyl)ethanone
OPENEYE Name: 1-(2-amino-3-thienyl)ethanone
IUPAC Name: 1-(2-aminothiophen-3-yl)ethanone
SYSTEMATIC NAME: 1-(2-azanylthiophen-3-yl)ethanone
MOLECULAR FORMULA: C6H7NOS
MOLECULAR WEIGHT: 141.19088
SMILES: CC(=O)C1=C(SC=C1)N
Structure:
CAS RN: 139323-38-9
CAS Name: N-[1-[[6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[1-benzyl-2-[[1-(2-fluoroacetyl)-4-guanidino-butyl]amino]-2-oxo-ethyl]carbamate
IUPAC Name: benzyl N-[1-[[6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[1-[[6-[bis(azanyl)methylideneamino]-1-fluoranyl-2-oxidanylidene-hexan-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
MOLECULAR FORMULA: C24H30FN5O4
MOLECULAR WEIGHT: 471.524503
SMILES: C1=CC=C(C=C1)CC(C(=O)NC(CCCN=C(N)N)C(=O)CF)NC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 94248-72-3
CAS Name: 4-(6-methylheptoxy)-4-oxobutanoic acid
OPENEYE Name: 4-(6-methylheptoxy)-4-oxo-butanoic acid
IUPAC Name: 4-(6-methylheptoxy)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-(6-methylheptoxy)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C12H22O4
MOLECULAR WEIGHT: 230.30068
SMILES: CC(C)CCCCCOC(=O)CCC(=O)O
Structure:
CAS RN: 84145-57-3
CAS Name: 1-(2-methyl-5-propan-2-ylphenyl)-1-propanone
OPENEYE Name: 1-(5-isopropyl-2-methyl-phenyl)propan-1-one
IUPAC Name: 1-(2-methyl-5-propan-2-ylphenyl)propan-1-one
SYSTEMATIC NAME: 1-(2-methyl-5-propan-2-yl-phenyl)propan-1-one
MOLECULAR FORMULA: C13H18O
MOLECULAR WEIGHT: 190.28142
SMILES: CCC(=O)C1=C(C=CC(=C1)C(C)C)C
Structure:
CAS RN: 15091-94-8
CAS Name: ammonium scandium(3+) sulfate
OPENEYE Name: ammonium scandium(3+) sulfate
IUPAC Name: azanium scandium(3+) sulfate
SYSTEMATIC NAME: azanium scandium(3+) sulfate
MOLECULAR FORMULA: H4NO4SSc+2
MOLECULAR WEIGHT: 159.05697
SMILES: [NH4+].[O-]S(=O)(=O)[O-].[Sc+3]
Structure:
CAS RN: 61693-43-4
CAS Name: 3-amino-2,4-dichlorophenol hydrochloride
OPENEYE Name: 3-amino-2,4-dichloro-phenol hydrochloride
IUPAC Name: 3-amino-2,4-dichlorophenol hydrochloride
SYSTEMATIC NAME: 3-azanyl-2,4-bis(chloranyl)phenol hydrochloride
MOLECULAR FORMULA: C6H6Cl3NO
MOLECULAR WEIGHT: 214.47694
SMILES: C1=CC(=C(C(=C1O)Cl)N)Cl.Cl
Structure:
CAS RN: 92932-33-7
CAS Name: 1-(2-thiazolyl)ethanamine
OPENEYE Name: 1-thiazol-2-ylethanamine
IUPAC Name: 1-(1,3-thiazol-2-yl)ethanamine
SYSTEMATIC NAME: 1-(1,3-thiazol-2-yl)ethanamine
MOLECULAR FORMULA: C5H8N2S
MOLECULAR WEIGHT: 128.19542
SMILES: CC(C1=NC=CS1)N
Structure:
CAS RN: 933754-38-2
CAS Name: 6-pyrazolo[1,5-a]pyrimidinecarboxylic acid
OPENEYE Name: pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
IUPAC Name: pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SYSTEMATIC NAME: pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
MOLECULAR FORMULA: C7H5N3O2
MOLECULAR WEIGHT: 163.1335
SMILES: C1=C2N=CC(=CN2N=C1)C(=O)O
Structure:
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