CAS RN: 63245-28-3
CAS Name: 2-[carboxymethyl-[2-(2,6-diethylanilino)-2-oxoethyl]amino]acetic acid
OPENEYE Name: 2-[carboxymethyl-[2-(2,6-diethylanilino)-2-oxo-ethyl]amino]acetic acid
IUPAC Name: 2-[carboxymethyl-[2-(2,6-diethylanilino)-2-oxoethyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]-(2-hydroxy-2-oxoethyl)amino]ethanoic acid
MOLECULAR FORMULA: C16H22N2O5
MOLECULAR WEIGHT: 322.35628
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)CN(CC(=O)O)CC(=O)O
Structure:
CAS RN: 142217-69-4
CAS Name: 2-amino-9-[(3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-3H-purin-6-one
OPENEYE Name: 2-amino-9-[(3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylene-cyclopentyl]-3H-purin-6-one
IUPAC Name: 2-amino-9-[(3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[(3R,4S)-3-(hydroxymethyl)-2-methylidene-4-oxidanyl-cyclopentyl]-3H-purin-6-one
MOLECULAR FORMULA: C12H15N5O3
MOLECULAR WEIGHT: 277.2792
SMILES: C=C1[C@@H]([C@H](CC1N2C=NC3=C2NC(=NC3=O)N)O)CO
Structure:
CAS RN: 209216-23-9
CAS Name: 2-amino-9-[(3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-3H-purin-6-one hydrate
OPENEYE Name: 2-amino-9-[(3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylene-cyclopentyl]-3H-purin-6-one hydrate
IUPAC Name: 2-amino-9-[(3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one hydrate
SYSTEMATIC NAME: 2-azanyl-9-[(3R,4S)-3-(hydroxymethyl)-2-methylidene-4-oxidanyl-cyclopentyl]-3H-purin-6-one hydrate
MOLECULAR FORMULA: C12H17N5O4
MOLECULAR WEIGHT: 295.29448
SMILES: C=C1[C@@H]([C@H](CC1N2C=NC3=C2NC(=NC3=O)N)O)CO.O
Structure:
CAS RN: 25422-75-7
CAS Name: N-[3-(2-hydroxy-2-thiophen-2-ylethyl)-2-thiazolylidene]acetamide
OPENEYE Name: N-[3-[2-hydroxy-2-(2-thienyl)ethyl]thiazol-2-ylidene]acetamide
IUPAC Name: N-[3-(2-hydroxy-2-thiophen-2-ylethyl)-1,3-thiazol-2-ylidene]acetamide
SYSTEMATIC NAME: N-[3-(2-oxidanyl-2-thiophen-2-yl-ethyl)-1,3-thiazol-2-ylidene]ethanamide
MOLECULAR FORMULA: C11H12N2O2S2
MOLECULAR WEIGHT: 268.35518
SMILES: CC(=O)N=C1N(C=CS1)CC(C2=CC=CS2)O
Structure:
CAS RN: 5560-77-0
CAS Name: 2-[(S)-(4-chlorophenyl)-(2-pyridinyl)methoxy]-N,N-dimethylethanamine
OPENEYE Name: 2-[(S)-(4-chlorophenyl)-(2-pyridyl)methoxy]-N,N-dimethyl-ethanamine
IUPAC Name: 2-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-[(S)-(4-chlorophenyl)-pyridin-2-yl-methoxy]-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C16H19ClN2O
MOLECULAR WEIGHT: 290.78786
SMILES: CN(C)CCO[C@@H](C1=CC=C(C=C1)Cl)C2=CC=CC=N2
Structure:
CAS RN: 930-09-6
CAS Name: 1,1,3-triethoxy-3-methylpentane
OPENEYE Name: 1,1,3-triethoxy-3-methyl-pentane
IUPAC Name: 1,1,3-triethoxy-3-methylpentane
SYSTEMATIC NAME: 1,1,3-triethoxy-3-methyl-pentane
MOLECULAR FORMULA: C12H26O3
MOLECULAR WEIGHT: 218.33304
SMILES: CCC(C)(CC(OCC)OCC)OCC
Structure:
CAS RN: 24622-52-4
CAS Name: 1-[2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine hydrochloride
OPENEYE Name: 1-(2-isopentyloxy-2-phenyl-ethyl)pyrrolidine hydrochloride
IUPAC Name: 1-[2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine hydrochloride
SYSTEMATIC NAME: 1-[2-(3-methylbutoxy)-2-phenyl-ethyl]pyrrolidine hydrochloride
MOLECULAR FORMULA: C17H28ClNO
MOLECULAR WEIGHT: 297.86332
SMILES: CC(C)CCOC(CN1CCCC1)C2=CC=CC=C2.Cl
Structure:
CAS RN: 19060-75-4
CAS Name: [(2R,3S,4R)-5-[(7S)-4-amino-6-[(4-bromo-2,3-dioxobutyl)thio]-7H-pyrrolo[3,2-d]pyrimidin-7-yl]-3,4-dihydroxy-2-oxolanyl]methyl phosphono hydrogen phosphate; 1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxy-2-oxolanyl]-3-pyridin-1-iumcarboxamide
OPENEYE Name: [(2R,3S,4R)-5-[(7S)-4-amino-6-(4-bromo-2,3-dioxo-butyl)sulfanyl-7H-pyrrolo[3,2-d]pyrimidin-7-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate; 1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxy-tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxamide
IUPAC Name: [(2R,3S,4R)-5-[(7S)-4-amino-6-(4-bromo-2,3-dioxobutyl)sulfanyl-7H-pyrrolo[3,2-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate; 1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxamide
SYSTEMATIC NAME: [(2R,3S,4R)-5-[(7S)-4-azanyl-6-[4-bromanyl-2,3-bis(oxidanylidene)butyl]sulfanyl-7H-pyrrolo[3,2-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate; 1-[(3R,4S,5R)-5-ethyl-3,4-bis(oxidanyl)oxolan-2-yl]pyridin-1-ium-3-carboxami
MOLECULAR FORMULA: C27H36BrN6O16P2S+
MOLECULAR WEIGHT: 874.521862
SMILES: CC[C@@H]1[C@H]([C@H](C(O1)[N+]2=CC=CC(=C2)C(=O)N)O)O.C1=NC2=C(C(=N1)N)N=C([C@@H]2C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)SCC(=O)C(=O)CBr
Structure:
CAS RN: 130942-92-6
CAS Name: N-[2-[ethoxy(methyl)phosphino]oxyethyl]-N-propan-2-yl-2-propanamine
OPENEYE Name: N-[2-[ethoxy(methyl)phosphanyl]oxyethyl]-N-isopropyl-propan-2-amine
IUPAC Name: N-[2-[ethoxy(methyl)phosphanyl]oxyethyl]-N-propan-2-ylpropan-2-amine
SYSTEMATIC NAME: N-[2-[ethoxy(methyl)phosphanyl]oxyethyl]-N-propan-2-yl-propan-2-amine
MOLECULAR FORMULA: C11H26NO2P
MOLECULAR WEIGHT: 235.303401
SMILES: CCOP(C)OCCN(C(C)C)C(C)C
Structure:
CAS RN: 143851-98-3
CAS Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamide hydrochloride
OPENEYE Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamide hydrochloride
IUPAC Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamide hydrochloride
SYSTEMATIC NAME: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxidanylidene-10H-acridine-4-carboxamide hydrochloride
MOLECULAR FORMULA: C34H34ClN3O5
MOLECULAR WEIGHT: 600.10386
SMILES: COC1=CC=CC2=C1NC3=C(C2=O)C=CC=C3C(=O)NC4=CC=C(C=C4)CCN5CCC6=CC(=C(C=C6C5)OC)OC.Cl
Structure:
CAS RN: 125652-14-4
CAS Name: (6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol hydrochloride
OPENEYE Name: (6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol hydrochloride
IUPAC Name: (6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol hydrochloride
SYSTEMATIC NAME: (6aS,13bR)-11-chloranyl-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol hydrochloride
MOLECULAR FORMULA: C19H21Cl2NO
MOLECULAR WEIGHT: 350.28214
SMILES: CN1CCC2=CC(=C(C=C2[C@@H]3[C@@H]1CCC4=CC=CC=C34)O)Cl.Cl
Structure:
CAS RN: 190133-94-9
CAS Name: (6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol hydrochloride
OPENEYE Name: (6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol hydrochloride
IUPAC Name: (6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol hydrochloride
SYSTEMATIC NAME: (6aS,13bR)-11-chloranyl-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol hydrochloride
MOLECULAR FORMULA: C19H21Cl2NO
MOLECULAR WEIGHT: 350.28214
SMILES: CN1CCC2=CC(=C(C=C2[C@@H]3[C@@H]1CCC4=CC=CC=C34)O)Cl.Cl
Structure:
CAS RN: 159910-86-8
CAS Name: (2R)-N-[(2R,3S)-4-[[(tert-butylamino)-oxomethyl]-(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3,3-dimethyl-2-[[2-(methylamino)-1-oxoethyl]amino]butanamide
OPENEYE Name: (2R)-N-[(1R,2S)-1-benzyl-3-[tert-butylcarbamoyl(isopentyl)amino]-2-hydroxy-propyl]-3,3-dimethyl-2-[[2-(methylamino)acetyl]amino]butanamide
IUPAC Name: (2R)-N-[(2R,3S)-4-[tert-butylcarbamoyl(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3,3-dimethyl-2-[[2-(methylamino)acetyl]amino]butanamide
SYSTEMATIC NAME: (2R)-N-[(2R,3S)-4-[tert-butylcarbamoyl(3-methylbutyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3,3-dimethyl-2-[2-(methylamino)ethanoylamino]butanamide
MOLECULAR FORMULA: C29H51N5O4
MOLECULAR WEIGHT: 533.74634
SMILES: CC(C)CCN(C[C@@H]([C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](C(C)(C)C)NC(=O)CNC)O)C(=O)NC(C)(C)C
Structure:
CAS RN: 155662-50-3
CAS Name: (2R)-N-[(2R,3S)-4-[[(tert-butylamino)-oxomethyl]-(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3,3-dimethyl-2-[[2-(methylamino)-1-oxoethyl]amino]butanamide hydrochloride
OPENEYE Name: (2R)-N-[(1R,2S)-1-benzyl-3-[tert-butylcarbamoyl(isopentyl)amino]-2-hydroxy-propyl]-3,3-dimethyl-2-[[2-(methylamino)acetyl]amino]butanamide hydrochloride
IUPAC Name: (2R)-N-[(2R,3S)-4-[tert-butylcarbamoyl(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3,3-dimethyl-2-[[2-(methylamino)acetyl]amino]butanamide hydrochloride
SYSTEMATIC NAME: (2R)-N-[(2R,3S)-4-[tert-butylcarbamoyl(3-methylbutyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3,3-dimethyl-2-[2-(methylamino)ethanoylamino]butanamide hydrochloride
MOLECULAR FORMULA: C29H52ClN5O4
MOLECULAR WEIGHT: 570.20728
SMILES: CC(C)CCN(C[C@@H]([C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](C(C)(C)C)NC(=O)CNC)O)C(=O)NC(C)(C)C.Cl
Structure:
CAS RN: 57363-13-0
CAS Name: 5-ethyl-8-oxo-2,3-dihydrofuro[2,3-g]quinoline-7-carboxylic acid
OPENEYE Name: 5-ethyl-8-oxo-2,3-dihydrofuro[2,3-g]quinoline-7-carboxylic acid
IUPAC Name: 5-ethyl-8-oxo-2,3-dihydrofuro[2,3-g]quinoline-7-carboxylic acid
SYSTEMATIC NAME: 5-ethyl-8-oxidanylidene-2,3-dihydrofuro[2,3-g]quinoline-7-carboxylic acid
MOLECULAR FORMULA: C14H13NO4
MOLECULAR WEIGHT: 259.25732
SMILES: CCN1C=C(C(=O)C2=CC3=C(CCO3)C=C21)C(=O)O
Structure:
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