CAS RN: 202534-94-9
CAS Name: 4-(4-fluorophenyl)-1-methyl-2,6-dioxo-3-piperidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(4-fluorophenyl)-1-methyl-2,6-dioxo-piperidine-3-carboxylate
IUPAC Name: ethyl 4-(4-fluorophenyl)-1-methyl-2,6-dioxopiperidine-3-carboxylate
SYSTEMATIC NAME: ethyl 4-(4-fluorophenyl)-1-methyl-2,6-bis(oxidanylidene)piperidine-3-carboxylate
MOLECULAR FORMULA: C15H16FNO4
MOLECULAR WEIGHT: 293.290243
SMILES: CCOC(=O)C1C(CC(=O)N(C1=O)C)C2=CC=C(C=C2)F
Structure:
CAS RN: 79295-96-8
CAS Name: N-[2-(2-chloro-4,6-dinitrophenyl)azo-5-[2-cyanoethyl(ethyl)amino]-4-methoxyphenyl]acetamide
OPENEYE Name: N-[2-(2-chloro-4,6-dinitro-phenyl)azo-5-[2-cyanoethyl(ethyl)amino]-4-methoxy-phenyl]acetamide
IUPAC Name: N-[2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-[2-cyanoethyl(ethyl)amino]-4-methoxyphenyl]acetamide
SYSTEMATIC NAME: N-[2-[(2-chloranyl-4,6-dinitro-phenyl)diazenyl]-5-[2-cyanoethyl(ethyl)amino]-4-methoxy-phenyl]ethanamide
MOLECULAR FORMULA: C20H20ClN7O6
MOLECULAR WEIGHT: 489.8691
SMILES: CCN(CCC#N)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC
Structure:
CAS RN: 28911-34-4
CAS Name: 2-(4-morpholinyl)-2-oxoacetic acid
OPENEYE Name: 2-morpholino-2-oxo-acetic acid
IUPAC Name: 2-morpholin-4-yl-2-oxoacetic acid
SYSTEMATIC NAME: 2-morpholin-4-yl-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C6H9NO4
MOLECULAR WEIGHT: 159.13996
SMILES: C1COCCN1C(=O)C(=O)O
Structure:
CAS RN: 55083-85-7
CAS Name: 1-(4-chlorophenyl)-2-piperazinone
OPENEYE Name: 1-(4-chlorophenyl)piperazin-2-one
IUPAC Name: 1-(4-chlorophenyl)piperazin-2-one
SYSTEMATIC NAME: 1-(4-chlorophenyl)piperazin-2-one
MOLECULAR FORMULA: C10H11ClN2O
MOLECULAR WEIGHT: 210.66014
SMILES: C1CN(C(=O)CN1)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 208941-54-2
CAS Name: [3-(2-methoxyphenyl)phenyl]methanol
OPENEYE Name: [3-(2-methoxyphenyl)phenyl]methanol
IUPAC Name: [3-(2-methoxyphenyl)phenyl]methanol
SYSTEMATIC NAME: [3-(2-methoxyphenyl)phenyl]methanol
MOLECULAR FORMULA: C14H14O2
MOLECULAR WEIGHT: 214.25976
SMILES: COC1=CC=CC=C1C2=CC(=CC=C2)CO
Structure:
CAS RN: 208941-51-9
CAS Name: [3-(3,5-dichlorophenyl)phenyl]methanol
OPENEYE Name: [3-(3,5-dichlorophenyl)phenyl]methanol
IUPAC Name: [3-(3,5-dichlorophenyl)phenyl]methanol
SYSTEMATIC NAME: [3-[3,5-bis(chloranyl)phenyl]phenyl]methanol
MOLECULAR FORMULA: C13H10Cl2O
MOLECULAR WEIGHT: 253.1239
SMILES: C1=CC(=CC(=C1)CO)C2=CC(=CC(=C2)Cl)Cl
Structure:
CAS RN: 208941-46-2
CAS Name: [3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methanol
OPENEYE Name: [3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methanol
IUPAC Name: [3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methanol
SYSTEMATIC NAME: [3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methanol
MOLECULAR FORMULA: C15H10F6O
MOLECULAR WEIGHT: 320.229719
SMILES: C1=CC(=CC(=C1)CO)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 5288-22-2
CAS Name: 8-fluoro-2-methyl-1H-quinolin-4-one
OPENEYE Name: 8-fluoro-2-methyl-1H-quinolin-4-one
IUPAC Name: 8-fluoro-2-methyl-1H-quinolin-4-one
SYSTEMATIC NAME: 8-fluoranyl-2-methyl-1H-quinolin-4-one
MOLECULAR FORMULA: C10H8FNO
MOLECULAR WEIGHT: 177.175023
SMILES: CC1=CC(=O)C2=C(N1)C(=CC=C2)F
Structure:
CAS RN: 206768-21-0
CAS Name: 5-ethynyl-2-thiophenecarboxaldehyde
OPENEYE Name: 5-ethynylthiophene-2-carbaldehyde
IUPAC Name: 5-ethynylthiophene-2-carbaldehyde
SYSTEMATIC NAME: 5-ethynylthiophene-2-carbaldehyde
MOLECULAR FORMULA: C7H4OS
MOLECULAR WEIGHT: 136.17106
SMILES: C#CC1=CC=C(S1)C=O
Structure:
CAS RN: 68011-52-9
CAS Name: chloroboranuide
OPENEYE Name: chloroboranuide
IUPAC Name: chloroboranuide
SYSTEMATIC NAME: chloranylboranuide
MOLECULAR FORMULA: BClH3-
MOLECULAR WEIGHT: 49.28782
SMILES: [BH3-]Cl
Structure:
CAS RN: 226250-08-4
CAS Name: 4-[2-[(8R)-5,5-dimethyl-8-[[(2S)-2-oxanyl]oxy]-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[2-[(4R)-1,1-dimethyl-4-[(2S)-tetrahydropyran-2-yl]oxy-tetralin-6-yl]ethynyl]benzoate
IUPAC Name: ethyl 4-[2-[(8R)-5,5-dimethyl-8-[(2S)-oxan-2-yl]oxy-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate
SYSTEMATIC NAME: ethyl 4-[2-[(8R)-5,5-dimethyl-8-[(2S)-oxan-2-yl]oxy-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate
MOLECULAR FORMULA: C28H32O4
MOLECULAR WEIGHT: 432.55128
SMILES: CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC[C@H]3O[C@H]4CCCCO4)(C)C
Structure:
CAS RN: 328956-61-2
CAS Name: (3-chloro-5-fluorophenyl)boronic acid
OPENEYE Name: (3-chloro-5-fluoro-phenyl)boronic acid
IUPAC Name: (3-chloro-5-fluorophenyl)boronic acid
SYSTEMATIC NAME: (3-chloranyl-5-fluoranyl-phenyl)boronic acid
MOLECULAR FORMULA: C6H5BClFO2
MOLECULAR WEIGHT: 174.365103
SMILES: B(C1=CC(=CC(=C1)Cl)F)(O)O
Structure:
CAS RN: 174265-12-4
CAS Name: 2-bromo-5-chlorobenzaldehyde
OPENEYE Name: 2-bromo-5-chloro-benzaldehyde
IUPAC Name: 2-bromo-5-chlorobenzaldehyde
SYSTEMATIC NAME: 2-bromanyl-5-chloranyl-benzaldehyde
MOLECULAR FORMULA: C7H4BrClO
MOLECULAR WEIGHT: 219.46306
SMILES: C1=CC(=C(C=C1Cl)C=O)Br
Structure:
CAS RN: 130339-07-0
CAS Name: 5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methyl-4-pyrimidinamine
OPENEYE Name: 5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methyl-pyrimidin-4-amine
IUPAC Name: 5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methylpyrimidin-4-amine
SYSTEMATIC NAME: N-[1-[4-[bis(fluoranyl)methoxy]phenyl]propyl]-5-chloranyl-6-methyl-pyrimidin-4-amine
MOLECULAR FORMULA: C15H16ClF2N3O
MOLECULAR WEIGHT: 327.756846
SMILES: CCC(C1=CC=C(C=C1)OC(F)F)NC2=NC=NC(=C2Cl)C
Structure:
CAS RN: 130722-95-1
CAS Name: 3-bromo-5-phenylmethoxypyridine
OPENEYE Name: 3-benzyloxy-5-bromo-pyridine
IUPAC Name: 3-bromo-5-phenylmethoxypyridine
SYSTEMATIC NAME: 3-bromanyl-5-phenylmethoxy-pyridine
MOLECULAR FORMULA: C12H10BrNO
MOLECULAR WEIGHT: 264.1179
SMILES: C1=CC=C(C=C1)COC2=CC(=CN=C2)Br
Structure:
CAS RN: 94021-75-7
CAS Name: [4-[[4-(diethylamino)phenyl]-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-diethylammonium hydroxide
OPENEYE Name: [4-[[4-(diethylamino)phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-ylidene]-diethyl-ammonium hydroxide
IUPAC Name: [4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium hydroxide
SYSTEMATIC NAME: [4-[[4-(diethylamino)phenyl]-phenyl-methylidene]cyclohexa-2,5-dien-1-ylidene]-diethyl-azanium hydroxide
MOLECULAR FORMULA: C27H34N2O
MOLECULAR WEIGHT: 402.57166
SMILES: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.[OH-]
Structure:
CAS RN: 5029-61-8
CAS Name: (2R,3R,4S,5E)-5-[(2,4-dinitrophenyl)hydrazinylidene]pentane-1,2,3,4-tetrol
OPENEYE Name: (2R,3R,4S,5E)-5-[(2,4-dinitrophenyl)hydrazono]pentane-1,2,3,4-tetrol
IUPAC Name: (2R,3R,4S,5E)-5-[(2,4-dinitrophenyl)hydrazinylidene]pentane-1,2,3,4-tetrol
SYSTEMATIC NAME: (2R,3R,4S,5E)-5-[(2,4-dinitrophenyl)hydrazinylidene]pentane-1,2,3,4-tetrol
MOLECULAR FORMULA: C11H14N4O8
MOLECULAR WEIGHT: 330.25086
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N/N=C/[C@@H]([C@H]([C@@H](CO)O)O)O
Structure:
CAS RN: 147539-41-1
CAS Name: 4-(methylamino)-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(methylamino)piperidine-1-carboxylate
IUPAC Name: tert-butyl 4-(methylamino)piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(methylamino)piperidine-1-carboxylate
MOLECULAR FORMULA: C11H22N2O2
MOLECULAR WEIGHT: 214.30458
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)NC
Structure:
CAS RN: 62695-69-6
CAS Name: (3E,5E,7E,9E)-10-(4-hydroxyphenyl)-2-deca-3,5,7,9-tetraenone
OPENEYE Name: (3E,5E,7E,9E)-10-(4-hydroxyphenyl)deca-3,5,7,9-tetraen-2-one
IUPAC Name: (3E,5E,7E,9E)-10-(4-hydroxyphenyl)deca-3,5,7,9-tetraen-2-one
SYSTEMATIC NAME: (3E,5E,7E,9E)-10-(4-hydroxyphenyl)deca-3,5,7,9-tetraen-2-one
MOLECULAR FORMULA: C16H16O2
MOLECULAR WEIGHT: 240.29704
SMILES: CC(=O)/C=C/C=C/C=C/C=C/C1=CC=C(C=C1)O
Structure:
CAS RN: 172939-50-3
CAS Name: 8-bromo-4-methylquinoline
OPENEYE Name: 8-bromo-4-methyl-quinoline
IUPAC Name: 8-bromo-4-methylquinoline
SYSTEMATIC NAME: 8-bromanyl-4-methyl-quinoline
MOLECULAR FORMULA: C10H8BrN
MOLECULAR WEIGHT: 222.08122
SMILES: CC1=C2C=CC=C(C2=NC=C1)Br
Structure:
CAS RN: 1161976-17-5
CAS Name: tributyl(5-quinolinyl)stannane
OPENEYE Name: tributyl(5-quinolyl)stannane
IUPAC Name: tributyl(quinolin-5-yl)stannane
SYSTEMATIC NAME: tributyl(quinolin-5-yl)stannane
MOLECULAR FORMULA: C21H33NSn
MOLECULAR WEIGHT: 418.20342
SMILES: CCCC[Sn](CCCC)(CCCC)C1=CC=CC2=C1C=CC=N2
Structure:
CAS RN: 169324-83-8
CAS Name: (8E)-8-[[2-(dibutylamino)-4-phenyl-5-thiazolyl]imino]-2-heptan-3-yl-7-methyl-5-oxo-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile
OPENEYE Name: (8E)-8-[2-(dibutylamino)-4-phenyl-thiazol-5-yl]imino-2-(1-ethylpentyl)-7-methyl-5-oxo-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile
IUPAC Name: (8E)-8-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]imino]-2-heptan-3-yl-7-methyl-5-oxo-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile
SYSTEMATIC NAME: (8E)-8-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]imino]-2-heptan-3-yl-7-methyl-5-oxidanylidene-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile
MOLECULAR FORMULA: C32H41N7OS
MOLECULAR WEIGHT: 571.77924
SMILES: CCCCC(CC)C1=NN2C(=N1)/C(=N/C3=C(N=C(S3)N(CCCC)CCCC)C4=CC=CC=C4)/C(=C(C2=O)C#N)C
Structure:
CAS RN: 79793-01-4
CAS Name: potassium [[(4,6-dimethyl-2-pyrimidinyl)amino]-oxomethyl]-(2-methoxycarbonylphenyl)sulfonylazanide
OPENEYE Name: potassium (4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenyl)sulfonyl-azanide
IUPAC Name: potassium (4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenyl)sulfonylazanide
SYSTEMATIC NAME: potassium (4,6-dimethylpyrimidin-2-yl)carbamoyl-(2-methoxycarbonylphenyl)sulfonyl-azanide
MOLECULAR FORMULA: C15H15KN4O5S
MOLECULAR WEIGHT: 402.4667
SMILES: CC1=CC(=NC(=N1)NC(=O)[N-]S(=O)(=O)C2=CC=CC=C2C(=O)OC)C.[K+]
Structure:
CAS RN: 35210-50-5
CAS Name: (2E,6E)-2,6-bis[(E)-3-(4-azidophenyl)prop-2-enylidene]-4-methyl-1-cyclohexanone
OPENEYE Name: (2E,6E)-2,6-bis[(E)-3-(4-azidophenyl)prop-2-enylidene]-4-methyl-cyclohexanone
IUPAC Name: (2E,6E)-2,6-bis[(E)-3-(4-azidophenyl)prop-2-enylidene]-4-methylcyclohexan-1-one
SYSTEMATIC NAME: (2E,6E)-2,6-bis[(E)-3-(4-azidophenyl)prop-2-enylidene]-4-methyl-cyclohexan-1-one
MOLECULAR FORMULA: C25H22N6O
MOLECULAR WEIGHT: 422.48178
SMILES: CC1C/C(=C\C=C\C2=CC=C(C=C2)N=[N+]=[N-])/C(=O)/C(=C/C=C/C3=CC=C(C=C3)N=[N+]=[N-])/C1
Structure:
CAS RN: 83929-95-7
CAS Name: manganese(2+) disulfamate
OPENEYE Name: manganous disulfamate
IUPAC Name: manganese(2+) disulfamate
SYSTEMATIC NAME: manganese(2+) disulfamate
MOLECULAR FORMULA: H4MnN2O6S2
MOLECULAR WEIGHT: 247.109609
SMILES: NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Mn+2]
Structure:
CAS RN: 13455-33-9
CAS Name: cobalt(2+) silicate
OPENEYE Name: dicobaltous silicate
IUPAC Name: cobalt(2+) silicate
SYSTEMATIC NAME: cobalt(2+) silicate
MOLECULAR FORMULA: Co2O4Si
MOLECULAR WEIGHT: 209.9495
SMILES: [O-][Si]([O-])([O-])[O-].[Co+2].[Co+2]
Structure:
CAS RN: 68155-78-2
CAS Name: heptasodium [bis[2-[[hydroxy(oxido)phosphoryl]methyl-(phosphonatomethyl)amino]ethyl]amino]methyl-hydroxyphosphinate
OPENEYE Name: heptasodium [bis[2-[[hydroxy(oxido)phosphoryl]methyl-(phosphonatomethyl)amino]ethyl]amino]methyl-hydroxy-phosphinate
IUPAC Name: heptasodium [bis[2-[[hydroxy(oxido)phosphoryl]methyl-(phosphonatomethyl)amino]ethyl]amino]methyl-hydroxyphosphinate
SYSTEMATIC NAME: heptasodium [bis[2-[[oxidanidyl(oxidanyl)phosphoryl]methyl-(phosphonatomethyl)amino]ethyl]amino]methyl-oxidanyl-phosphinate
MOLECULAR FORMULA: C9H21N3Na7O15P5
MOLECULAR WEIGHT: 727.071335
SMILES: C(CN(CP(=O)(O)[O-])CP(=O)([O-])[O-])N(CCN(CP(=O)(O)[O-])CP(=O)([O-])[O-])CP(=O)(O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 85153-65-7
CAS Name: (Z)-3-ethoxy-2-butenoic acid methyl ester
OPENEYE Name: methyl (Z)-3-ethoxybut-2-enoate
IUPAC Name: methyl (Z)-3-ethoxybut-2-enoate
SYSTEMATIC NAME: methyl (Z)-3-ethoxybut-2-enoate
MOLECULAR FORMULA: C7H12O3
MOLECULAR WEIGHT: 144.16838
SMILES: CCO/C(=C\C(=O)OC)/C
Structure:
CAS RN: 142978-25-4
CAS Name: 2-[[1-(2-hydroxyethyl)-3,4-dihydro-2H-quinolin-6-yl]methylidene]propanedinitrile
OPENEYE Name: 2-[[1-(2-hydroxyethyl)-3,4-dihydro-2H-quinolin-6-yl]methylene]propanedinitrile
IUPAC Name: 2-[[1-(2-hydroxyethyl)-3,4-dihydro-2H-quinolin-6-yl]methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[[1-(2-hydroxyethyl)-3,4-dihydro-2H-quinolin-6-yl]methylidene]propanedinitrile
MOLECULAR FORMULA: C15H15N3O
MOLECULAR WEIGHT: 253.2991
SMILES: C1CC2=C(C=CC(=C2)C=C(C#N)C#N)N(C1)CCO
Structure:
CAS RN: 78847-53-7
CAS Name: methanesulfonic acid (4-oxocyclohexyl) ester
OPENEYE Name: (4-oxocyclohexyl) methanesulfonate
IUPAC Name: (4-oxocyclohexyl) methanesulfonate
SYSTEMATIC NAME: (4-oxidanylidenecyclohexyl) methanesulfonate
MOLECULAR FORMULA: C7H12O4S
MOLECULAR WEIGHT: 192.23278
SMILES: CS(=O)(=O)OC1CCC(=O)CC1
Structure:
CAS RN: 91188-15-7
CAS Name: N-(3-azetidinylmethyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(azetidin-3-ylmethyl)carbamate
IUPAC Name: tert-butyl N-(azetidin-3-ylmethyl)carbamate
SYSTEMATIC NAME: tert-butyl N-(azetidin-3-ylmethyl)carbamate
MOLECULAR FORMULA: C9H18N2O2
MOLECULAR WEIGHT: 186.25142
SMILES: CC(C)(C)OC(=O)NCC1CNC1
Structure:
CAS RN: 204059-51-8
CAS Name: 3-[4-(phenylmethyl)-1-piperazinyl]propanoic acid methyl ester
OPENEYE Name: methyl 3-(4-benzylpiperazin-1-yl)propanoate
IUPAC Name: methyl 3-(4-benzylpiperazin-1-yl)propanoate
SYSTEMATIC NAME: methyl 3-[4-(phenylmethyl)piperazin-1-yl]propanoate
MOLECULAR FORMULA: C15H22N2O2
MOLECULAR WEIGHT: 262.34738
SMILES: COC(=O)CCN1CCN(CC1)CC2=CC=CC=C2
Structure:
CAS RN: 63326-75-0
CAS Name: 3-thieno[2,3-c]pyridinamine
OPENEYE Name: thieno[2,3-c]pyridin-3-amine
IUPAC Name: thieno[2,3-c]pyridin-3-amine
SYSTEMATIC NAME: thieno[2,3-c]pyridin-3-amine
MOLECULAR FORMULA: C7H6N2S
MOLECULAR WEIGHT: 150.20094
SMILES: C1=CN=CC2=C1C(=CS2)N
Structure:
CAS RN: 152803-24-2
CAS Name: 5-hydroxy-3-pyridinecarbonitrile
OPENEYE Name: 5-hydroxypyridine-3-carbonitrile
IUPAC Name: 5-hydroxypyridine-3-carbonitrile
SYSTEMATIC NAME: 5-oxidanylpyridine-3-carbonitrile
MOLECULAR FORMULA: C6H4N2O
MOLECULAR WEIGHT: 120.10876
SMILES: C1=C(C=NC=C1O)C#N
Structure:
CAS RN: 100130-05-0
CAS Name: 5-amino-2-(methylthio)-4-pyrimidinecarboxylic acid
OPENEYE Name: 5-amino-2-methylsulfanyl-pyrimidine-4-carboxylic acid
IUPAC Name: 5-amino-2-methylsulfanylpyrimidine-4-carboxylic acid
SYSTEMATIC NAME: 5-azanyl-2-methylsulfanyl-pyrimidine-4-carboxylic acid
MOLECULAR FORMULA: C6H7N3O2S
MOLECULAR WEIGHT: 185.20368
SMILES: CSC1=NC=C(C(=N1)C(=O)O)N
Structure:
CAS RN: 151533-22-1
CAS Name: calcium (2S)-2-[[[4-[[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioate
OPENEYE Name: calcium (2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate
IUPAC Name: calcium (2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: calcium (2S)-2-[[4-[[(6S)-2-azanyl-5-methyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C20H23CaN7O6
MOLECULAR WEIGHT: 497.51792
SMILES: CN1[C@H](CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Ca+2]
Structure:
CAS RN: 152213-40-6
CAS Name: 5-amino-1H-indole-2-carboxylic acid
OPENEYE Name: 5-amino-1H-indole-2-carboxylic acid
IUPAC Name: 5-amino-1H-indole-2-carboxylic acid
SYSTEMATIC NAME: 5-azanyl-1H-indole-2-carboxylic acid
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: C1=CC2=C(C=C1N)C=C(N2)C(=O)O
Structure:
CAS RN: 16498-86-5
CAS Name: 2-chloro-3-quinolinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-chloroquinoline-3-carboxylate
IUPAC Name: ethyl 2-chloroquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 2-chloranylquinoline-3-carboxylate
MOLECULAR FORMULA: C12H10ClNO2
MOLECULAR WEIGHT: 235.6663
SMILES: CCOC(=O)C1=CC2=CC=CC=C2N=C1Cl
Structure:
CAS RN: 23975-61-3
CAS Name: 1-(3-chlorophenyl)-4,4,4-trifluorobutane-1,3-dione
OPENEYE Name: 1-(3-chlorophenyl)-4,4,4-trifluoro-butane-1,3-dione
IUPAC Name: 1-(3-chlorophenyl)-4,4,4-trifluorobutane-1,3-dione
SYSTEMATIC NAME: 1-(3-chlorophenyl)-4,4,4-tris(fluoranyl)butane-1,3-dione
MOLECULAR FORMULA: C10H6ClF3O2
MOLECULAR WEIGHT: 250.60165
SMILES: C1=CC(=CC(=C1)Cl)C(=O)CC(=O)C(F)(F)F
Structure:
CAS RN: 99214-52-5
CAS Name: 5,8-diazaspiro[2.5]octane
OPENEYE Name: 5,8-diazaspiro[2.5]octane
IUPAC Name: 5,8-diazaspiro[2.5]octane
SYSTEMATIC NAME: 5,8-diazaspiro[2.5]octane
MOLECULAR FORMULA: C6H12N2
MOLECULAR WEIGHT: 112.17288
SMILES: C1CC12CNCCN2
Structure:
CAS RN: 532986-35-9
CAS Name: 2-amino-2-(2-methylphenyl)acetic acid methyl ester
OPENEYE Name: methyl 2-amino-2-(o-tolyl)acetate
IUPAC Name: methyl 2-amino-2-(2-methylphenyl)acetate
SYSTEMATIC NAME: methyl 2-azanyl-2-(2-methylphenyl)ethanoate
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: CC1=CC=CC=C1C(C(=O)OC)N
Structure:
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