CAS RN: 46781-90-2
CAS Name: dicyclohexylsulfamic acid
OPENEYE Name: dicyclohexylsulfamic acid
IUPAC Name: dicyclohexylsulfamic acid
SYSTEMATIC NAME: dicyclohexylsulfamic acid
MOLECULAR FORMULA: C12H23NO3S
MOLECULAR WEIGHT: 261.38092
SMILES: C1CCC(CC1)N(C2CCCCC2)S(=O)(=O)O
Structure:
CAS RN: 46781-71-9
CAS Name: 2-methyl-3-propyl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
OPENEYE Name: 2-methyl-3-propyl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
IUPAC Name: 2-methyl-3-propyl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
SYSTEMATIC NAME: 2-methyl-3-propyl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
MOLECULAR FORMULA: C12H16N2O2S
MOLECULAR WEIGHT: 252.33264
SMILES: CCCC1=NCC2=CC=CC=C2S(=O)(=O)N1C
Structure:
CAS RN: 46377-45-1
CAS Name: 2,3-dimethyl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
OPENEYE Name: 2,3-dimethyl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
IUPAC Name: 2,3-dimethyl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
SYSTEMATIC NAME: 2,3-dimethyl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
MOLECULAR FORMULA: C10H12N2O2S
MOLECULAR WEIGHT: 224.27948
SMILES: CC1=NCC2=CC=CC=C2S(=O)(=O)N1C
Structure:
CAS RN: 46165-47-3
CAS Name: 5-ethyl-1-phenyltetrazole
OPENEYE Name: 5-ethyl-1-phenyl-tetrazole
IUPAC Name: 5-ethyl-1-phenyltetrazole
SYSTEMATIC NAME: 5-ethyl-1-phenyl-1,2,3,4-tetrazole
MOLECULAR FORMULA: C9H10N4
MOLECULAR WEIGHT: 174.2025
SMILES: CCC1=NN=NN1C2=CC=CC=C2
Structure:
CAS RN: 46165-46-2
CAS Name: 1-cyclohexyl-5-ethyltetrazole
OPENEYE Name: 1-cyclohexyl-5-ethyl-tetrazole
IUPAC Name: 1-cyclohexyl-5-ethyltetrazole
SYSTEMATIC NAME: 1-cyclohexyl-5-ethyl-1,2,3,4-tetrazole
MOLECULAR FORMULA: C9H16N4
MOLECULAR WEIGHT: 180.25014
SMILES: CCC1=NN=NN1C2CCCCC2
Structure:
CAS RN: 46155-89-9
CAS Name: 1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
OPENEYE Name: 1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
IUPAC Name: 1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
MOLECULAR FORMULA: C8H9N3O2
MOLECULAR WEIGHT: 179.17596
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=C2
Structure:
CAS RN: 46034-85-9
CAS Name: 2-ethyl-6-propylphenol
OPENEYE Name: 2-ethyl-6-propyl-phenol
IUPAC Name: 2-ethyl-6-propylphenol
SYSTEMATIC NAME: 2-ethyl-6-propyl-phenol
MOLECULAR FORMULA: C11H16O
MOLECULAR WEIGHT: 164.24414
SMILES: CCCC1=CC=CC(=C1O)CC
Structure:
CAS RN: 46002-63-5
CAS Name: 5-cyclohexyl-1-methyltetrazole
OPENEYE Name: 5-cyclohexyl-1-methyl-tetrazole
IUPAC Name: 5-cyclohexyl-1-methyltetrazole
SYSTEMATIC NAME: 5-cyclohexyl-1-methyl-1,2,3,4-tetrazole
MOLECULAR FORMULA: C8H14N4
MOLECULAR WEIGHT: 166.22356
SMILES: CN1C(=NN=N1)C2CCCCC2
Structure:
CAS RN: 45644-21-1
CAS Name: 6-chloro-2-pyridinamine
OPENEYE Name: 6-chloropyridin-2-amine
IUPAC Name: 6-chloropyridin-2-amine
SYSTEMATIC NAME: 6-chloranylpyridin-2-amine
MOLECULAR FORMULA: C5H5ClN2
MOLECULAR WEIGHT: 128.5596
SMILES: C1=CC(=NC(=C1)Cl)N
Structure:
CAS RN: 45533-49-1
CAS Name: 2-propan-2-yl-4,5-dihydrothiazole
OPENEYE Name: 2-isopropyl-4,5-dihydrothiazole
IUPAC Name: 2-propan-2-yl-4,5-dihydro-1,3-thiazole
SYSTEMATIC NAME: 2-propan-2-yl-4,5-dihydro-1,3-thiazole
MOLECULAR FORMULA: C6H11NS
MOLECULAR WEIGHT: 129.22324
SMILES: CC(C)C1=NCCS1
Structure:
CAS RN: 44984-18-1
CAS Name: [(diaminomethylideneamino)-oxomethyl]sulfamic acid
OPENEYE Name: diaminomethylenecarbamoylsulfamic acid
IUPAC Name: diaminomethylidenecarbamoylsulfamic acid
SYSTEMATIC NAME: bis(azanyl)methylidenecarbamoylsulfamic acid
MOLECULAR FORMULA: C2H6N4O4S
MOLECULAR WEIGHT: 182.15844
SMILES: C(=NC(=O)NS(=O)(=O)O)(N)N
Structure:
CAS RN: 44296-44-8
CAS Name: 2-methylpropanethioic S-acid
OPENEYE Name: 2-methylpropanethioic S-acid
IUPAC Name: 2-methylpropanethioic S-acid
SYSTEMATIC NAME: 2-methylpropanethioic S-acid
MOLECULAR FORMULA: C4H8OS
MOLECULAR WEIGHT: 104.17072
SMILES: CC(C)C(=O)S
Structure:
CAS RN: 43213-37-2
CAS Name: 2-acetyloxybenzoic acid [4-(4,4-dimethyl-3-oxopentyl)-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl]methyl ester
OPENEYE Name: [4-(4,4-dimethyl-3-oxo-pentyl)-3,5-dioxo-1,2-diphenyl-pyrazolidin-4-yl]methyl 2-acetoxybenzoate
IUPAC Name: [4-(4,4-dimethyl-3-oxopentyl)-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl]methyl 2-acetyloxybenzoate
SYSTEMATIC NAME: [4-(4,4-dimethyl-3-oxidanylidene-pentyl)-3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]methyl 2-acetyloxybenzoate
MOLECULAR FORMULA: C32H32N2O7
MOLECULAR WEIGHT: 556.60568
SMILES: CC(=O)OC1=CC=CC=C1C(=O)OCC2(C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)CCC(=O)C(C)(C)C
Structure:
CAS RN: 43201-95-2
CAS Name: octanoic acid 3-hydroxybutyl ester
OPENEYE Name: 3-hydroxybutyl octanoate
IUPAC Name: 3-hydroxybutyl octanoate
SYSTEMATIC NAME: 3-oxidanylbutyl octanoate
MOLECULAR FORMULA: C12H24O3
MOLECULAR WEIGHT: 216.31716
SMILES: CCCCCCCC(=O)OCCC(C)O
Structure:
CAS RN: 43198-90-9
CAS Name: 3-(4-fluorophenyl)-5-(prop-2-ynoxymethyl)-2-oxazolidinone
OPENEYE Name: 3-(4-fluorophenyl)-5-(prop-2-ynoxymethyl)oxazolidin-2-one
IUPAC Name: 3-(4-fluorophenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-(4-fluorophenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C13H12FNO3
MOLECULAR WEIGHT: 249.237683
SMILES: C#CCOCC1CN(C(=O)O1)C2=CC=C(C=C2)F
Structure:
CAS RN: 43193-11-9
CAS Name: 2-(5-methyl-2-phenyl-3-pyrazolyl)-1,3-benzothiazole
OPENEYE Name: 2-(5-methyl-2-phenyl-pyrazol-3-yl)-1,3-benzothiazole
IUPAC Name: 2-(5-methyl-2-phenylpyrazol-3-yl)-1,3-benzothiazole
SYSTEMATIC NAME: 2-(5-methyl-2-phenyl-pyrazol-3-yl)-1,3-benzothiazole
MOLECULAR FORMULA: C17H13N3S
MOLECULAR WEIGHT: 291.37022
SMILES: CC1=NN(C(=C1)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4
Structure:
CAS RN: 43183-04-6
CAS Name: 4-(3-bromo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1,1-dimethylpiperazin-1-ium iodide
OPENEYE Name: 4-(3-bromo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1,1-dimethyl-piperazin-1-ium iodide
IUPAC Name: 4-(3-bromo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1,1-dimethylpiperazin-1-ium iodide
SYSTEMATIC NAME: 4-(3-bromanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1,1-dimethyl-piperazin-1-ium iodide
MOLECULAR FORMULA: C20H24BrIN2S
MOLECULAR WEIGHT: 531.29143
SMILES: C[N+]1(CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Br)C.[I-]
Structure:
CAS RN: 43180-83-2
CAS Name: 1-[2-(1-pyrrolidinyl)ethyl]-1,2,4-triazole
OPENEYE Name: 1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazole
IUPAC Name: 1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazole
SYSTEMATIC NAME: 1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazole
MOLECULAR FORMULA: C8H14N4
MOLECULAR WEIGHT: 166.22356
SMILES: C1CCN(C1)CCN2C=NC=N2
Structure:
CAS RN: 43167-40-4
CAS Name: (2S)-2-acetamido-3-(5-methoxy-1H-indol-3-yl)propanoic acid
OPENEYE Name: (2S)-2-acetamido-3-(5-methoxy-1H-indol-3-yl)propanoic acid
IUPAC Name: (2S)-2-acetamido-3-(5-methoxy-1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: (2S)-2-acetamido-3-(5-methoxy-1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C14H16N2O4
MOLECULAR WEIGHT: 276.28784
SMILES: CC(=O)N[C@@H](CC1=CNC2=C1C=C(C=C2)OC)C(=O)O
Structure:
CAS RN: 43166-31-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H27NO
MOLECULAR WEIGHT: 369.49868
SMILES: C1CCN(C1)[C@@]23[C@H]4CC[C@H](C4)[C@@H]2C(=C(C3=O)C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 43166-20-7
CAS Name: propanoic acid [1-methyl-2',4'-dioxo-6-(1-oxopropoxy)-1'-(1-oxopropyl)-5-spiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,5'-imidazolidine]yl] ester hydrochloride
OPENEYE Name: (1-methyl-2',4'-dioxo-1'-propanoyl-6-propanoyloxy-spiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,5'-imidazolidine]-5-yl) propanoate hydrochloride
IUPAC Name: (1-methyl-2',4'-dioxo-1'-propanoyl-6-propanoyloxyspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,5'-imidazolidine]-5-yl) propanoate hydrochloride
SYSTEMATIC NAME: [1-methyl-2',4'-bis(oxidanylidene)-1'-propanoyl-6-propanoyloxy-spiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,5'-imidazolidine]-5-yl] propanoate hydrochloride
MOLECULAR FORMULA: C24H30ClN3O7
MOLECULAR WEIGHT: 507.9639
SMILES: CCC(=O)N1C(=O)NC(=O)C12CCC3C4=C2C(=C(C=C4CCN3C)OC(=O)CC)OC(=O)CC.Cl
Structure:
CAS RN: 43166-19-4
CAS Name: acetic acid (1'-acetyl-6-acetyloxy-1-methyl-2',4'-dioxo-5-spiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,5'-imidazolidine]yl) ester hydrochloride
OPENEYE Name: (6-acetoxy-1'-acetyl-1-methyl-2',4'-dioxo-spiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,5'-imidazolidine]-5-yl) acetate hydrochloride
IUPAC Name: (1'-acetyl-6-acetyloxy-1-methyl-2',4'-dioxospiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,5'-imidazolidine]-5-yl) acetate hydrochloride
SYSTEMATIC NAME: [6-acetyloxy-1'-ethanoyl-1-methyl-2',4'-bis(oxidanylidene)spiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,5'-imidazolidine]-5-yl] ethanoate hydrochloride
MOLECULAR FORMULA: C21H24ClN3O7
MOLECULAR WEIGHT: 465.88416
SMILES: CC(=O)N1C(=O)NC(=O)C12CCC3C4=C2C(=C(C=C4CCN3C)OC(=O)C)OC(=O)C.Cl
Structure:
CAS RN: 43164-07-4
CAS Name: 5,5-diethyl-1-(methoxymethyl)-3-methyl-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5,5-diethyl-1-(methoxymethyl)-3-methyl-hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5,5-diethyl-1-(methoxymethyl)-3-methyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5,5-diethyl-1-(methoxymethyl)-3-methyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C11H18N2O4
MOLECULAR WEIGHT: 242.27162
SMILES: CCC1(C(=O)N(C(=O)N(C1=O)COC)C)CC
Structure:
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