CAS RN: 3837-15-8
CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl-dimethylsulfonium iodide
OPENEYE Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl-dimethyl-sulfonium iodide
IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl-dimethylsulfanium iodide
SYSTEMATIC NAME: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl-dimethyl-sulfanium iodide
MOLECULAR FORMULA: C11H17IN4O2S
MOLECULAR WEIGHT: 396.24775
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC[S+](C)C.[I-]
Structure:
CAS RN: 3833-55-4
CAS Name: 2-[[2-(benzenesulfonamido)-5-pyrimidinyl]oxy]acetic acid
OPENEYE Name: 2-[2-(benzenesulfonamido)pyrimidin-5-yl]oxyacetic acid
IUPAC Name: 2-[2-(benzenesulfonamido)pyrimidin-5-yl]oxyacetic acid
SYSTEMATIC NAME: 2-[2-(phenylsulfonylamino)pyrimidin-5-yl]oxyethanoic acid
MOLECULAR FORMULA: C12H11N3O5S
MOLECULAR WEIGHT: 309.29784
SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=N2)OCC(=O)O
Structure:
CAS RN: 3833-54-3
CAS Name: N-[5-(2-hydroxyethoxy)-2-pyrimidinyl]benzenesulfonamide
OPENEYE Name: N-[5-(2-hydroxyethoxy)pyrimidin-2-yl]benzenesulfonamide
IUPAC Name: N-[5-(2-hydroxyethoxy)pyrimidin-2-yl]benzenesulfonamide
SYSTEMATIC NAME: N-[5-(2-hydroxyethyloxy)pyrimidin-2-yl]benzenesulfonamide
MOLECULAR FORMULA: C12H13N3O4S
MOLECULAR WEIGHT: 295.31432
SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=N2)OCCO
Structure:
CAS RN: 3829-69-4
CAS Name: 2-[4-[(2,4-dimethoxyphenyl)methyl]-1-piperazinyl]pyrimidine dihydrochloride
OPENEYE Name: 2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine dihydrochloride
IUPAC Name: 2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine dihydrochloride
SYSTEMATIC NAME: 2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine dihydrochloride
MOLECULAR FORMULA: C17H24Cl2N4O2
MOLECULAR WEIGHT: 387.30406
SMILES: COC1=CC(=C(C=C1)CN2CCN(CC2)C3=NC=CC=N3)OC.Cl.Cl
Structure:
CAS RN: 3828-26-0
CAS Name: 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-fluorophenyl)-1-(4-methylphenyl)ethanol
OPENEYE Name: 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-fluorophenyl)-1-(p-tolyl)ethanol
IUPAC Name: 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-fluorophenyl)-1-(4-methylphenyl)ethanol
SYSTEMATIC NAME: 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-fluorophenyl)-1-(4-methylphenyl)ethanol
MOLECULAR FORMULA: C27H32FNO2
MOLECULAR WEIGHT: 421.546883
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)F)(C3=CC=C(C=C3)C)O
Structure:
CAS RN: 3819-24-7
CAS Name: 1-[20-(1-quinolin-1-iumyl)eicosyl]quinolin-1-ium diiodide
OPENEYE Name: 1-(20-quinolin-1-ium-1-ylicosyl)quinolin-1-ium diiodide
IUPAC Name: 1-(20-quinolin-1-ium-1-ylicosyl)quinolin-1-ium diiodide
SYSTEMATIC NAME: 1-(20-quinolin-1-ium-1-ylicosyl)quinolin-1-ium diiodide
MOLECULAR FORMULA: C38H54I2N2
MOLECULAR WEIGHT: 792.6577
SMILES: C1=CC=C2C(=C1)C=CC=[N+]2CCCCCCCCCCCCCCCCCCCC[N+]3=CC=CC4=CC=CC=C43.[I-].[I-]
Structure:
CAS RN: 3819-07-6
CAS Name: (1-ethylcyclopentyl)urea
OPENEYE Name: (1-ethylcyclopentyl)urea
IUPAC Name: (1-ethylcyclopentyl)urea
SYSTEMATIC NAME: 1-(1-ethylcyclopentyl)urea
MOLECULAR FORMULA: C8H16N2O
MOLECULAR WEIGHT: 156.22544
SMILES: CCC1(CCCC1)NC(=O)N
Structure:
CAS RN: 3818-90-4
CAS Name: 4-[5-(4-chlorophenyl)pentoxy]-4-oxobutanoic acid
OPENEYE Name: 4-[5-(4-chlorophenyl)pentoxy]-4-oxo-butanoic acid
IUPAC Name: 4-[5-(4-chlorophenyl)pentoxy]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[5-(4-chlorophenyl)pentoxy]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C15H19ClO4
MOLECULAR WEIGHT: 298.76196
SMILES: C1=CC(=CC=C1CCCCCOC(=O)CCC(=O)O)Cl
Structure:
CAS RN: 4775-90-0
CAS Name: 2,2-diphenylpropanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester
OPENEYE Name: quinuclidin-3-yl 2,2-diphenylpropanoate
IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylpropanoate
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylpropanoate
MOLECULAR FORMULA: C22H25NO2
MOLECULAR WEIGHT: 335.4394
SMILES: CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4
Structure:
CAS RN: 3818-79-9
CAS Name: 2,2-diphenylpropanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester hydrochloride
OPENEYE Name: quinuclidin-3-yl 2,2-diphenylpropanoate hydrochloride
IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylpropanoate hydrochloride
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylpropanoate hydrochloride
MOLECULAR FORMULA: C22H26ClNO2
MOLECULAR WEIGHT: 371.90034
SMILES: CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4.Cl
Structure:
CAS RN: 3818-72-2
CAS Name: N-[(4-acetamido-1-naphthalenyl)sulfonyl]dodecanamide
OPENEYE Name: N-[(4-acetamido-1-naphthyl)sulfonyl]dodecanamide
IUPAC Name: N-(4-acetamidonaphthalen-1-yl)sulfonyldodecanamide
SYSTEMATIC NAME: N-(4-acetamidonaphthalen-1-yl)sulfonyldodecanamide
MOLECULAR FORMULA: C24H34N2O4S
MOLECULAR WEIGHT: 446.60276
SMILES: CCCCCCCCCCCC(=O)NS(=O)(=O)C1=CC=C(C2=CC=CC=C21)NC(=O)C
Structure:
CAS RN: 3818-70-0
CAS Name: N'-(6-methoxy-8-quinolinyl)-N-propylpentane-1,5-diamine; phosphoric acid
OPENEYE Name: N'-(6-methoxy-8-quinolyl)-N-propyl-pentane-1,5-diamine; phosphoric acid
IUPAC Name: N'-(6-methoxyquinolin-8-yl)-N-propylpentane-1,5-diamine; phosphoric acid
SYSTEMATIC NAME: N'-(6-methoxyquinolin-8-yl)-N-propyl-pentane-1,5-diamine; phosphoric acid
MOLECULAR FORMULA: C18H30N3O5P
MOLECULAR WEIGHT: 399.421661
SMILES: CCCNCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2.OP(=O)(O)O
Structure:
CAS RN: 3816-44-2
CAS Name: 5-(hydroxymethyl)-2-methyl-3-pyridinol hydrochloride
OPENEYE Name: 5-(hydroxymethyl)-2-methyl-pyridin-3-ol hydrochloride
IUPAC Name: 5-(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride
SYSTEMATIC NAME: 5-(hydroxymethyl)-2-methyl-pyridin-3-ol hydrochloride
MOLECULAR FORMULA: C7H10ClNO2
MOLECULAR WEIGHT: 175.6128
SMILES: CC1=C(C=C(C=N1)CO)O.Cl
Structure:
CAS RN: 3815-84-7
CAS Name: 3-(4-chlorophenyl)-4-phenyl-5-oxadiazol-3-iumolate
OPENEYE Name: 3-(4-chlorophenyl)-4-phenyl-oxadiazol-3-ium-5-olate
IUPAC Name: 3-(4-chlorophenyl)-4-phenyloxadiazol-3-ium-5-olate
SYSTEMATIC NAME: 3-(4-chlorophenyl)-4-phenyl-1,2,3-oxadiazol-3-ium-5-olate
MOLECULAR FORMULA: C14H9ClN2O2
MOLECULAR WEIGHT: 272.68646
SMILES: C1=CC=C(C=C1)C2=C(ON=[N+]2C3=CC=C(C=C3)Cl)[O-]
Structure:
CAS RN: 3815-80-3
CAS Name: 3-(4-methoxyphenyl)-5-oxadiazol-3-iumolate
OPENEYE Name: 3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate
IUPAC Name: 3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate
SYSTEMATIC NAME: 3-(4-methoxyphenyl)-1,2,3-oxadiazol-3-ium-5-olate
MOLECULAR FORMULA: C9H8N2O3
MOLECULAR WEIGHT: 192.17142
SMILES: COC1=CC=C(C=C1)[N+]2=NOC(=C2)[O-]
Structure:
CAS RN: 3815-78-9
CAS Name: 3-(2-methylphenyl)-4-nitro-5-oxadiazol-3-iumolate
OPENEYE Name: 4-nitro-3-(o-tolyl)oxadiazol-3-ium-5-olate
IUPAC Name: 3-(2-methylphenyl)-4-nitrooxadiazol-3-ium-5-olate
SYSTEMATIC NAME: 3-(2-methylphenyl)-4-nitro-1,2,3-oxadiazol-3-ium-5-olate
MOLECULAR FORMULA: C9H7N3O4
MOLECULAR WEIGHT: 221.16958
SMILES: CC1=CC=CC=C1[N+]2=NOC(=C2[N+](=O)[O-])[O-]
Structure:
CAS RN: 3815-75-6
CAS Name: 3-(4-methylphenyl)-4-propan-2-yl-5-oxadiazol-3-iumolate
OPENEYE Name: 4-isopropyl-3-(p-tolyl)oxadiazol-3-ium-5-olate
IUPAC Name: 3-(4-methylphenyl)-4-propan-2-yloxadiazol-3-ium-5-olate
SYSTEMATIC NAME: 3-(4-methylphenyl)-4-propan-2-yl-1,2,3-oxadiazol-3-ium-5-olate
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: CC1=CC=C(C=C1)[N+]2=NOC(=C2C(C)C)[O-]
Structure:
CAS RN: 3812-06-4
CAS Name: amino-hexadecyl-dimethylammonium bromide
OPENEYE Name: amino-hexadecyl-dimethyl-ammonium bromide
IUPAC Name: amino-hexadecyl-dimethylazanium bromide
SYSTEMATIC NAME: azanyl-hexadecyl-dimethyl-azanium bromide
MOLECULAR FORMULA: C18H41BrN2
MOLECULAR WEIGHT: 365.43554
SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)N.[Br-]
Structure:
CAS RN: 3811-62-9
CAS Name: 1,3-dimercapto-2-propanesulfonic acid
OPENEYE Name: 1,3-bis(sulfanyl)propane-2-sulfonic acid
IUPAC Name: 1,3-bis(sulfanyl)propane-2-sulfonic acid
SYSTEMATIC NAME: 1,3-bis(sulfanyl)propane-2-sulfonic acid
MOLECULAR FORMULA: C3H8O3S3
MOLECULAR WEIGHT: 188.28882
SMILES: C(C(CS)S(=O)(=O)O)S
Structure:
CAS RN: 3811-06-1
CAS Name: N-[4-(2-amino-5-methyl-6-phenanthridin-5-iumyl)phenyl]carbamic acid ethyl ester; ethanesulfonate
OPENEYE Name: ethanesulfonate; ethyl N-[4-(2-amino-5-methyl-phenanthridin-5-ium-6-yl)phenyl]carbamate
IUPAC Name: ethanesulfonate; ethyl N-[4-(2-amino-5-methylphenanthridin-5-ium-6-yl)phenyl]carbamate
SYSTEMATIC NAME: ethanesulfonate; ethyl N-[4-(2-azanyl-5-methyl-phenanthridin-5-ium-6-yl)phenyl]carbamate
MOLECULAR FORMULA: C25H27N3O5S
MOLECULAR WEIGHT: 481.56398
SMILES: CCOC(=O)NC1=CC=C(C=C1)C2=[N+](C3=C(C=C(C=C3)N)C4=CC=CC=C42)C.CCS(=O)(=O)[O-]
Structure:
CAS RN: 3810-41-1
CAS Name: 1,3-dimethyl-7-[2-(phenylmethyl)sulfinylethyl]purine-2,6-dione
OPENEYE Name: 7-(2-benzylsulfinylethyl)-1,3-dimethyl-purine-2,6-dione
IUPAC Name: 7-(2-benzylsulfinylethyl)-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-7-[2-(phenylmethyl)sulfinylethyl]purine-2,6-dione
MOLECULAR FORMULA: C16H18N4O3S
MOLECULAR WEIGHT: 346.40412
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCS(=O)CC3=CC=CC=C3
Structure:
CAS RN: 3810-31-9
CAS Name: carbamimidothioic acid 2-[bis[2-(carbamimidoylthio)ethyl]amino]ethyl ester tetrahydrobromide
OPENEYE Name: 2-[2-[bis(2-carbamimidoylsulfanylethyl)amino]ethyl]isothiourea tetrahydrobromide
IUPAC Name: 2-[bis(2-carbamimidoylsulfanylethyl)amino]ethyl carbamimidothioate tetrahydrobromide
SYSTEMATIC NAME: 2-[bis(2-carbamimidoylsulfanylethyl)amino]ethyl carbamimidothioate tetrahydrobromide
MOLECULAR FORMULA: C9H25Br4N7S3
MOLECULAR WEIGHT: 647.1527
SMILES: C(CSC(=N)N)N(CCSC(=N)N)CCSC(=N)N.Br.Br.Br.Br
Structure:
CAS RN: 3810-30-8
CAS Name: N'-phenylcarbamimidothioic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester hydroiodide
OPENEYE Name: 2-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl]-3-phenyl-isothiourea hydroiodide
IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl N'-phenylcarbamimidothioate hydroiodide
SYSTEMATIC NAME: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl N'-phenylcarbamimidothioate hydroiodide
MOLECULAR FORMULA: C16H19IN6O2S
MOLECULAR WEIGHT: 486.33053
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC(=NC3=CC=CC=C3)N.I
Structure:
CAS RN: 3805-38-7
CAS Name: 1,2,3-trimethylbenzimidazol-3-ium iodide
OPENEYE Name: 1,2,3-trimethylbenzimidazol-3-ium iodide
IUPAC Name: 1,2,3-trimethylbenzimidazol-3-ium iodide
SYSTEMATIC NAME: 1,2,3-trimethylbenzimidazol-3-ium iodide
MOLECULAR FORMULA: C10H13IN2
MOLECULAR WEIGHT: 288.12809
SMILES: CC1=[N+](C2=CC=CC=C2N1C)C.[I-]
Structure:
CAS RN: 3796-00-7
CAS Name: 2,2,4,4,6-pentakis(1-aziridinyl)-6-(1-piperidinyl)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
OPENEYE Name: 2,2,4,4,6-pentakis(aziridin-1-yl)-6-(1-piperidyl)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
IUPAC Name: 2,2,4,4,6-pentakis(aziridin-1-yl)-6-piperidin-1-yl-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
SYSTEMATIC NAME: 2,2,4,4,6-pentakis(aziridin-1-yl)-6-piperidin-1-yl-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
MOLECULAR FORMULA: C15H30N9P3
MOLECULAR WEIGHT: 429.380283
SMILES: C1CCN(CC1)P2(=NP(=NP(=N2)(N3CC3)N4CC4)(N5CC5)N6CC6)N7CC7
Structure:
CAS RN: 3780-90-3
CAS Name: 2-[(2,4-dinitrophenyl)hydrazinylidene]propanedinitrile
OPENEYE Name: 2-[(2,4-dinitrophenyl)hydrazono]propanedinitrile
IUPAC Name: 2-[(2,4-dinitrophenyl)hydrazinylidene]propanedinitrile
SYSTEMATIC NAME: 2-[(2,4-dinitrophenyl)hydrazinylidene]propanedinitrile
MOLECULAR FORMULA: C9H4N6O4
MOLECULAR WEIGHT: 260.16586
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN=C(C#N)C#N
Structure:
CAS RN: 3780-88-9
CAS Name: 2-[(2,4,6-trichlorophenyl)hydrazinylidene]propanedinitrile
OPENEYE Name: 2-[(2,4,6-trichlorophenyl)hydrazono]propanedinitrile
IUPAC Name: 2-[(2,4,6-trichlorophenyl)hydrazinylidene]propanedinitrile
SYSTEMATIC NAME: 2-[[2,4,6-tris(chloranyl)phenyl]hydrazinylidene]propanedinitrile
MOLECULAR FORMULA: C9H3Cl3N4
MOLECULAR WEIGHT: 273.50592
SMILES: C1=C(C=C(C(=C1Cl)NN=C(C#N)C#N)Cl)Cl
Structure:
CAS RN: 3778-85-6
CAS Name: carbamimidothioic acid (2-chlorophenyl)methyl ester hydrochloride
OPENEYE Name: 2-[(2-chlorophenyl)methyl]isothiourea hydrochloride
IUPAC Name: (2-chlorophenyl)methyl carbamimidothioate hydrochloride
SYSTEMATIC NAME: (2-chlorophenyl)methyl carbamimidothioate hydrochloride
MOLECULAR FORMULA: C8H10Cl2N2S
MOLECULAR WEIGHT: 237.1494
SMILES: C1=CC=C(C(=C1)CSC(=N)N)Cl.Cl
Structure:
CAS RN: 3776-95-2
CAS Name: N-(2-furanylmethyl)-1-phenyl-2-propanamine hydrochloride
OPENEYE Name: N-(2-furylmethyl)-1-phenyl-propan-2-amine hydrochloride
IUPAC Name: N-(furan-2-ylmethyl)-1-phenylpropan-2-amine hydrochloride
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-1-phenyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C14H18ClNO
MOLECULAR WEIGHT: 251.75182
SMILES: CC(CC1=CC=CC=C1)NCC2=CC=CO2.Cl
Structure:
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