CAS RN: 4795-09-9
CAS Name: [(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(1S)-1-(trimethylammonio)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-trimethylammonium dichloride
OPENEYE Name: [(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(1S)-1-(trimethylammonio)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-trimethyl-ammonium dichloride
IUPAC Name: [(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(1S)-1-(trimethylazaniumyl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-trimethylazanium dichloride
SYSTEMATIC NAME: [(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(1S)-1-(trimethylazaniumyl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-trimethyl-azanium dichloride
MOLECULAR FORMULA: C27H52Cl2N2
MOLECULAR WEIGHT: 475.62118
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)[N+](C)(C)C)C)C)[N+](C)(C)C.[Cl-].[Cl-]
Structure:
CAS RN: 4794-20-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H6Cl4O3
MOLECULAR WEIGHT: 327.97554
SMILES: C1C2C(C(C1C34C2(O3)C(=O)C(=C(C4=O)Cl)Cl)Cl)Cl
Structure:
CAS RN: 4789-63-3
CAS Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
OPENEYE Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine
IUPAC Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
SYSTEMATIC NAME: 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine
MOLECULAR FORMULA: C19H21ClN2S
MOLECULAR WEIGHT: 344.90144
SMILES: CN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24
Structure:
CAS RN: 4983-96-4
CAS Name: 1-(5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methylpiperazine
OPENEYE Name: 1-(5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methyl-piperazine
IUPAC Name: 1-(5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methylpiperazine
SYSTEMATIC NAME: 1-(5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methyl-piperazine
MOLECULAR FORMULA: C19H22N2O
MOLECULAR WEIGHT: 294.39078
SMILES: CN1CCN(CC1)C2CC3=CC=CC=C3OC4=CC=CC=C24
Structure:
CAS RN: 4787-00-2
CAS Name: N-[2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyldisulfanyl]ethyl]-4,5-dihydro-1H-imidazol-2-amine dihydrobromide
OPENEYE Name: N-[2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyldisulfanyl]ethyl]-4,5-dihydro-1H-imidazol-2-amine dihydrobromide
IUPAC Name: N-[2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyldisulfanyl]ethyl]-4,5-dihydro-1H-imidazol-2-amine dihydrobromide
SYSTEMATIC NAME: N-[2-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyldisulfanyl]ethyl]-4,5-dihydro-1H-imidazol-2-amine dihydrobromide
MOLECULAR FORMULA: C10H22Br2N6S2
MOLECULAR WEIGHT: 450.25988
SMILES: C1CN=C(N1)NCCSSCCNC2=NCCN2.Br.Br
Structure:
CAS RN: 4786-91-8
CAS Name: 2-(4,5-dihydrothiazol-2-ylthio)ethanamine dihydrobromide
OPENEYE Name: 2-(4,5-dihydrothiazol-2-ylsulfanyl)ethanamine dihydrobromide
IUPAC Name: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanamine dihydrobromide
SYSTEMATIC NAME: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanamine dihydrobromide
MOLECULAR FORMULA: C5H12Br2N2S2
MOLECULAR WEIGHT: 324.10018
SMILES: C1CSC(=N1)SCCN.Br.Br
Structure:
CAS RN: 4780-64-7
CAS Name: 2,4-dihydroxy-5-methylbenzoic acid
OPENEYE Name: 2,4-dihydroxy-5-methyl-benzoic acid
IUPAC Name: 2,4-dihydroxy-5-methylbenzoic acid
SYSTEMATIC NAME: 5-methyl-2,4-bis(oxidanyl)benzoic acid
MOLECULAR FORMULA: C8H8O4
MOLECULAR WEIGHT: 168.14672
SMILES: CC1=C(C=C(C(=C1)C(=O)O)O)O
Structure:
CAS RN: 4777-45-1
CAS Name: 6-chloro-1-methyl-3-[3-(4-phenyl-1-piperazinyl)propyl]quinazoline-2,4-dione hydrochloride
OPENEYE Name: 6-chloro-1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione hydrochloride
IUPAC Name: 6-chloro-1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione hydrochloride
SYSTEMATIC NAME: 6-chloranyl-1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione hydrochloride
MOLECULAR FORMULA: C22H26Cl2N4O2
MOLECULAR WEIGHT: 449.37344
SMILES: CN1C2=C(C=C(C=C2)Cl)C(=O)N(C1=O)CCCN3CCN(CC3)C4=CC=CC=C4.Cl
Structure:
CAS RN: 4767-44-6
CAS Name: 1-(diaminomethylidene)-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine hydrochloride
OPENEYE Name: 1-(diaminomethylene)-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine hydrochloride
IUPAC Name: 1-(diaminomethylidene)-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine hydrochloride
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine hydrochloride
MOLECULAR FORMULA: C11H19ClN6O2S
MOLECULAR WEIGHT: 334.82556
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)CN=C(N)N=C(N)N.Cl
Structure:
CAS RN: 4766-45-4
CAS Name: 4-(2-amino-2-phenylethyl)phenol
OPENEYE Name: 4-(2-amino-2-phenyl-ethyl)phenol
IUPAC Name: 4-(2-amino-2-phenylethyl)phenol
SYSTEMATIC NAME: 4-(2-azanyl-2-phenyl-ethyl)phenol
MOLECULAR FORMULA: C14H15NO
MOLECULAR WEIGHT: 213.275
SMILES: C1=CC=C(C=C1)C(CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 4762-64-5
CAS Name: 1-[butoxy(prop-2-enyl)phosphoryl]oxybutane
OPENEYE Name: 1-[allyl(butoxy)phosphoryl]oxybutane
IUPAC Name: 1-[butoxy(prop-2-enyl)phosphoryl]oxybutane
SYSTEMATIC NAME: 1-[butoxy(prop-2-enyl)phosphoryl]oxybutane
MOLECULAR FORMULA: C11H23O3P
MOLECULAR WEIGHT: 234.272281
SMILES: CCCCOP(=O)(CC=C)OCCCC
Structure:
CAS RN: 4760-36-5
CAS Name: N-[(1-methyl-2-benzimidazolyl)methoxy]-2-propanimine
OPENEYE Name: N-[(1-methylbenzimidazol-2-yl)methoxy]propan-2-imine
IUPAC Name: N-[(1-methylbenzimidazol-2-yl)methoxy]propan-2-imine
SYSTEMATIC NAME: N-[(1-methylbenzimidazol-2-yl)methoxy]propan-2-imine
MOLECULAR FORMULA: C12H15N3O
MOLECULAR WEIGHT: 217.267
SMILES: CC(=NOCC1=NC2=CC=CC=C2N1C)C
Structure:
CAS RN: 4756-86-9
CAS Name: 2-(1-piperidinylmethyl)-2,3-dihydroinden-1-one
OPENEYE Name: 2-(1-piperidylmethyl)indan-1-one
IUPAC Name: 2-(piperidin-1-ylmethyl)-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 2-(piperidin-1-ylmethyl)-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C15H19NO
MOLECULAR WEIGHT: 229.31746
SMILES: C1CCN(CC1)CC2CC3=CC=CC=C3C2=O
Structure:
CAS RN: 4753-13-3
CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-methyl-1,1-diphenyl-1-propanol; oxalic acid
OPENEYE Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-methyl-1,1-diphenyl-propan-1-ol; oxalic acid
IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-methyl-1,1-diphenylpropan-1-ol; oxalic acid
SYSTEMATIC NAME: 3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-methyl-1,1-diphenyl-propan-1-ol; ethanedioic acid
MOLECULAR FORMULA: C29H35NO7
MOLECULAR WEIGHT: 509.5907
SMILES: CC(CN(C)CCC1=CC(=C(C=C1)OC)OC)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.C(=O)(C(=O)O)O
Structure:
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