CAS RN: 34372-24-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H34O5
MOLECULAR WEIGHT: 462.57726
SMILES: CC(=O)C12[C@@H](C[C@@H]3[C@@]1(CC[C@H]4[C@H]3C[C@H]5C6=CC(=O)CC[C@]46CO5)C)OC(O2)(C)C7=CC=CC=C7
Structure:
CAS RN: 4697-92-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H26O3
MOLECULAR WEIGHT: 302.40794
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@H]4C5=CC(=O)CC[C@]35CO4
Structure:
CAS RN: 71730-64-8
CAS Name: 6-amino-2-[[2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-3-hydroxy-1-oxopropyl]amino]hexanoic acid
OPENEYE Name: 6-amino-2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-3-hydroxy-propanoyl]amino]hexanoic acid
IUPAC Name: 6-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoyl]amino]hexanoic acid
SYSTEMATIC NAME: 6-azanyl-2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-3-oxidanyl-propanoyl]amino]hexanoic acid
MOLECULAR FORMULA: C13H26N4O6
MOLECULAR WEIGHT: 334.36874
SMILES: CC(C(C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)O)N)O
Structure:
CAS RN: 6620-98-0
CAS Name: 2-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxypropanoic acid
OPENEYE Name: 2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoic acid
IUPAC Name: 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
SYSTEMATIC NAME: 2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoic acid
MOLECULAR FORMULA: C9H17N3O7
MOLECULAR WEIGHT: 279.24718
SMILES: C(C(C(=O)NC(CO)C(=O)NC(CO)C(=O)O)N)O
Structure:
CAS RN: 426829-52-9
CAS Name: 4-(6-chloro-2-pyrazinyl)-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate
IUPAC Name: tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(6-chloranylpyrazin-2-yl)piperazine-1-carboxylate
MOLECULAR FORMULA: C13H19ClN4O2
MOLECULAR WEIGHT: 298.76856
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=CC(=N2)Cl
Structure:
CAS RN: 294622-59-6
CAS Name: 4-[2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-4-thiazolyl]benzoic acid
OPENEYE Name: 4-[2-(4-tert-butoxycarbonylpiperazin-1-yl)thiazol-4-yl]benzoic acid
IUPAC Name: 4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazol-4-yl]benzoic acid
SYSTEMATIC NAME: 4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazol-4-yl]benzoic acid
MOLECULAR FORMULA: C19H23N3O4S
MOLECULAR WEIGHT: 389.46862
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)C(=O)O
Structure:
CAS RN: 85169-07-9
CAS Name: (E)-2-butenedioate; manganese(2+)
OPENEYE Name: manganous (E)-but-2-enedioate
IUPAC Name: (E)-but-2-enedioate; manganese(2+)
SYSTEMATIC NAME: (E)-but-2-enedioate; manganese(2+)
MOLECULAR FORMULA: C4H2MnO4
MOLECULAR WEIGHT: 168.994329
SMILES: C(=C/C(=O)[O-])\C(=O)[O-].[Mn+2]
Structure:
CAS RN: 152367-89-0
CAS Name: 2-amino-4-fluorobenzaldehyde
OPENEYE Name: 2-amino-4-fluoro-benzaldehyde
IUPAC Name: 2-amino-4-fluorobenzaldehyde
SYSTEMATIC NAME: 2-azanyl-4-fluoranyl-benzaldehyde
MOLECULAR FORMULA: C7H6FNO
MOLECULAR WEIGHT: 139.127043
SMILES: C1=CC(=C(C=C1F)N)C=O
Structure:
CAS RN: 12003-85-9
CAS Name: aluminum; oxygen(2-); terbium(3+)
OPENEYE Name: aluminum; oxygen(2-); terbium(3+)
IUPAC Name: aluminum; oxygen(2-); terbium(3+)
SYSTEMATIC NAME: aluminum; oxygen(2-); terbium(3+)
MOLECULAR FORMULA: AlO3Tb
MOLECULAR WEIGHT: 233.905078
SMILES: [O-2].[O-2].[O-2].[Al+3].[Tb+3]
Structure:
CAS RN: 26547-15-9
CAS Name: 2-hexadecanamine
OPENEYE Name: hexadecan-2-amine
IUPAC Name: hexadecan-2-amine
SYSTEMATIC NAME: hexadecan-2-amine
MOLECULAR FORMULA: C16H35N
MOLECULAR WEIGHT: 241.4558
SMILES: CCCCCCCCCCCCCCC(C)N
Structure:
CAS RN: 113662-23-0
CAS Name: 2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]-3-phenylmethoxypropanoate; gadolinium(3+); hydron
OPENEYE Name: 3-benzyloxy-2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propanoate; gadolinium(3+); hydron
IUPAC Name: 2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]-3-phenylmethoxypropanoate; gadolinium(3+); hydron
SYSTEMATIC NAME: 2-[2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-3-phenylmethoxy-propanoate; gadolinium(3+); hydron
MOLECULAR FORMULA: C22H28GdN3O11
MOLECULAR WEIGHT: 667.72122
SMILES: [H+].[H+].C1=CC=C(C=C1)COCC(C(=O)[O-])N(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]
Structure:
CAS RN: 17605-73-1
CAS Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol; methanesulfonic acid
OPENEYE Name: 4-[2-(tert-butylamino)-1-hydroxy-ethyl]benzene-1,2-diol; methanesulfonic acid
IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol; methanesulfonic acid
SYSTEMATIC NAME: 4-[2-(tert-butylamino)-1-oxidanyl-ethyl]benzene-1,2-diol; methanesulfonic acid
MOLECULAR FORMULA: C13H23NO6S
MOLECULAR WEIGHT: 321.38982
SMILES: CC(C)(C)NCC(C1=CC(=C(C=C1)O)O)O.CS(=O)(=O)O
Structure:
CAS RN: 38239-45-1
CAS Name: 5-bromo-3-methyl-2-thiophenecarboxylic acid
OPENEYE Name: 5-bromo-3-methyl-thiophene-2-carboxylic acid
IUPAC Name: 5-bromo-3-methylthiophene-2-carboxylic acid
SYSTEMATIC NAME: 5-bromanyl-3-methyl-thiophene-2-carboxylic acid
MOLECULAR FORMULA: C6H5BrO2S
MOLECULAR WEIGHT: 221.0717
SMILES: CC1=C(SC(=C1)Br)C(=O)O
Structure:
CAS RN: 59207-23-7
CAS Name: 2-methyl-5H-thieno[3,2-c]pyridin-4-one
OPENEYE Name: 2-methyl-5H-thieno[3,2-c]pyridin-4-one
IUPAC Name: 2-methyl-5H-thieno[3,2-c]pyridin-4-one
SYSTEMATIC NAME: 2-methyl-5H-thieno[3,2-c]pyridin-4-one
MOLECULAR FORMULA: C8H7NOS
MOLECULAR WEIGHT: 165.21228
SMILES: CC1=CC2=C(S1)C=CNC2=O
Structure:
CAS RN: 209286-63-5
CAS Name: 2-(bromomethyl)-4-chlorothieno[3,2-c]pyridine
OPENEYE Name: 2-(bromomethyl)-4-chloro-thieno[3,2-c]pyridine
IUPAC Name: 2-(bromomethyl)-4-chlorothieno[3,2-c]pyridine
SYSTEMATIC NAME: 2-(bromomethyl)-4-chloranyl-thieno[3,2-c]pyridine
MOLECULAR FORMULA: C8H5BrClNS
MOLECULAR WEIGHT: 262.554
SMILES: C1=CN=C(C2=C1SC(=C2)CBr)Cl
Structure:
CAS RN: 59207-24-8
CAS Name: 4-chloro-2-methylthieno[3,2-c]pyridine
OPENEYE Name: 4-chloro-2-methyl-thieno[3,2-c]pyridine
IUPAC Name: 4-chloro-2-methylthieno[3,2-c]pyridine
SYSTEMATIC NAME: 4-chloranyl-2-methyl-thieno[3,2-c]pyridine
MOLECULAR FORMULA: C8H6ClNS
MOLECULAR WEIGHT: 183.65794
SMILES: CC1=CC2=C(S1)C=CN=C2Cl
Structure:
CAS RN: 209286-97-5
CAS Name: 2-iodo-3-pyridinamine
OPENEYE Name: 2-iodopyridin-3-amine
IUPAC Name: 2-iodopyridin-3-amine
SYSTEMATIC NAME: 2-iodanylpyridin-3-amine
MOLECULAR FORMULA: C5H5IN2
MOLECULAR WEIGHT: 220.01107
SMILES: C1=CC(=C(N=C1)I)N
Structure:
CAS RN: 31516-52-6
CAS Name: diaminomethylideneurea; nitric acid
OPENEYE Name: diaminomethyleneurea; nitric acid
IUPAC Name: diaminomethylideneurea; nitric acid
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]urea; nitric acid
MOLECULAR FORMULA: C2H7N5O4
MOLECULAR WEIGHT: 165.10808
SMILES: C(=NC(=O)N)(N)N.[N+](=O)(O)[O-]
Structure:
CAS RN: 477601-28-8
CAS Name: 6-methoxy-8-quinolinol
OPENEYE Name: 6-methoxyquinolin-8-ol
IUPAC Name: 6-methoxyquinolin-8-ol
SYSTEMATIC NAME: 6-methoxyquinolin-8-ol
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: COC1=CC(=C2C(=C1)C=CC=N2)O
Structure:
CAS RN: 121801-61-4
CAS Name: 4-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan
OPENEYE Name: 4-[[1-[[2-[[2-[[1-[[2-[[1-[[1-[(2-amino-1-benzyl-2-oxo-ethyl)carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]c
IUPAC Name: 4-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan
SYSTEMATIC NAME: 4-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-methyl-1-oxid
MOLECULAR FORMULA: C59H86N16O14
MOLECULAR WEIGHT: 1243.41294
SMILES: CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)C(CC3=CN=CN3)NC(=O)C(CC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C4CCCN4
Structure:
CAS RN: 5666-21-7
CAS Name: 5-hexen-3-amine
OPENEYE Name: hex-5-en-3-amine
IUPAC Name: hex-5-en-3-amine
SYSTEMATIC NAME: hex-5-en-3-amine
MOLECULAR FORMULA: C6H13N
MOLECULAR WEIGHT: 99.17412
SMILES: CCC(CC=C)N
Structure:
CAS RN: 351325-04-7
CAS Name: 6-ethynyl-1H-imidazo[4,5-b]pyridine
OPENEYE Name: 6-ethynyl-1H-imidazo[4,5-b]pyridine
IUPAC Name: 6-ethynyl-1H-imidazo[4,5-b]pyridine
SYSTEMATIC NAME: 6-ethynyl-1H-imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C8H5N3
MOLECULAR WEIGHT: 143.1454
SMILES: C#CC1=CC2=C(N=C1)N=CN2
Structure:
CAS RN: 193902-87-3
CAS Name: 4-[4-amino-2-(trifluoromethyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-[4-amino-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate
IUPAC Name: tert-butyl 4-[4-amino-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[4-azanyl-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate
MOLECULAR FORMULA: C16H22F3N3O2
MOLECULAR WEIGHT: 345.35999
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)N)C(F)(F)F
Structure:
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