CAS RN: 56-25-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: C[C@]12C3CCC([C@]1(C(=O)OC2=O)C)O3
Structure:
CAS RN: 98048-97-6
CAS Name: (2S,4S)-4-cyclohexyl-1-[2-[[(1S)-2-methyl-1-(1-oxopropoxy)propoxy]-(4-phenylbutyl)phosphoryl]-1-oxoethyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S,4S)-4-cyclohexyl-1-[2-[[(1S)-2-methyl-1-propanoyloxy-propoxy]-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S,4S)-4-cyclohexyl-1-[2-[[(1S)-2-methyl-1-propanoyloxypropoxy]-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S,4S)-4-cyclohexyl-1-[2-[[(1S)-2-methyl-1-propanoyloxy-propoxy]-(4-phenylbutyl)phosphoryl]ethanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C30H46NO7P
MOLECULAR WEIGHT: 563.662501
SMILES: CCC(=O)O[C@H](C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2C[C@@H](C[C@H]2C(=O)O)C3CCCCC3
Structure:
CAS RN: 6769-74-0
CAS Name: 9-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-6,7,8,9-tetrahydro-1H-tetrazolo[5,1-b]quinazoline
OPENEYE Name: 9-(p-tolyl)-5-(p-tolylmethylene)-6,7,8,9-tetrahydro-1H-tetrazolo[5,1-b]quinazoline
IUPAC Name: 9-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-6,7,8,9-tetrahydro-1H-tetrazolo[5,1-b]quinazoline
SYSTEMATIC NAME: 9-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-6,7,8,9-tetrahydro-1H-[1,2,3,4]tetrazolo[5,1-b]quinazoline
MOLECULAR FORMULA: C23H23N5
MOLECULAR WEIGHT: 369.46222
SMILES: CC1=CC=C(C=C1)C=C2CCCC3=C2N=C4N=NNN4C3C5=CC=C(C=C5)C
Structure:
CAS RN: 16977-53-0
CAS Name: N-ethyl-2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine
OPENEYE Name: N-ethyl-2-(5-methoxy-1H-indol-3-yl)-N-methyl-ethanamine
IUPAC Name: N-ethyl-2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine
SYSTEMATIC NAME: N-ethyl-2-(5-methoxy-1H-indol-3-yl)-N-methyl-ethanamine
MOLECULAR FORMULA: C14H20N2O
MOLECULAR WEIGHT: 232.3214
SMILES: CCN(C)CCC1=CNC2=C1C=C(C=C2)OC
Structure:
CAS RN: 324029-99-4
CAS Name: (6E)-2,4-dibromo-3-hydroxy-6-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazo)methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6E)-2,4-dibromo-3-hydroxy-6-[[2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6E)-2,4-dibromo-3-hydroxy-6-[[2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-2,4-bis(bromanyl)-3-oxidanyl-6-[[2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C16H10Br2N6O2
MOLECULAR WEIGHT: 478.0976
SMILES: C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)NN/C=C/4\C=C(C(=C(C4=O)Br)O)Br
Structure:
CAS RN: 5713-51-9
CAS Name: 5-[(2-methyl-1H-indol-3-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 1-allyl-5-[(2-methyl-1H-indol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-[(2-methyl-1H-indol-3-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-[(2-methyl-1H-indol-3-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C17H15N3O2S
MOLECULAR WEIGHT: 325.3849
SMILES: CC1=C(C2=CC=CC=C2N1)C=C3C(=O)NC(=S)N(C3=O)CC=C
Structure:
CAS RN: 57212-36-9
CAS Name: (2S)-2-amino-3-(2-fluoro-1H-imidazol-5-yl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(2-fluoro-1H-imidazol-5-yl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(2-fluoro-1H-imidazol-5-yl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-(2-fluoranyl-1H-imidazol-5-yl)propanoic acid
MOLECULAR FORMULA: C6H8FN3O2
MOLECULAR WEIGHT: 173.145023
SMILES: C1=C(NC(=N1)F)C[C@@H](C(=O)O)N
Structure:
CAS RN: 167316-27-0
CAS Name: N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide
OPENEYE Name: N-[(1S,2S)-2-amino-1,2-diphenyl-ethyl]-4-methyl-benzenesulfonamide
IUPAC Name: N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide
SYSTEMATIC NAME: N-[(1S,2S)-2-azanyl-1,2-diphenyl-ethyl]-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C21H22N2O2S
MOLECULAR WEIGHT: 366.47658
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C2=CC=CC=C2)[C@H](C3=CC=CC=C3)N
Structure:
CAS RN: 7267-11-0
CAS Name: 4,5-dichloronaphthalene-1,8-dicarboxylic acid
OPENEYE Name: 4,5-dichloronaphthalene-1,8-dicarboxylic acid
IUPAC Name: 4,5-dichloronaphthalene-1,8-dicarboxylic acid
SYSTEMATIC NAME: 4,5-bis(chloranyl)naphthalene-1,8-dicarboxylic acid
MOLECULAR FORMULA: C12H6Cl2O4
MOLECULAR WEIGHT: 285.07964
SMILES: C1=CC(=C2C(=CC=C(C2=C1C(=O)O)C(=O)O)Cl)Cl
Structure:
CAS RN: 26549-65-5
CAS Name: (2R,3R)-2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide
OPENEYE Name: (2R,3R)-2,3-dihydroxy-N,N,N',N'-tetramethyl-butanediamide
IUPAC Name: (2R,3R)-2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide
SYSTEMATIC NAME: (2R,3R)-N,N,N',N'-tetramethyl-2,3-bis(oxidanyl)butanediamide
MOLECULAR FORMULA: C8H16N2O4
MOLECULAR WEIGHT: 204.22364
SMILES: CN(C)C(=O)[C@@H]([C@H](C(=O)N(C)C)O)O
Structure:
CAS RN: 158982-15-1
CAS Name: 2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]ethanol
OPENEYE Name: 2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]ethanol
IUPAC Name: 2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]ethanol
SYSTEMATIC NAME: 2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]ethanol
MOLECULAR FORMULA: C17H22N6O
MOLECULAR WEIGHT: 326.39618
SMILES: CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NCCO
Structure:
CAS RN: 145774-33-0
CAS Name: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octanamide
OPENEYE Name: N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]octanamide
IUPAC Name: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octanamide
SYSTEMATIC NAME: N-[(2S,3R)-1,3-bis(oxidanyl)octadecan-2-yl]octanamide
MOLECULAR FORMULA: C26H53NO3
MOLECULAR WEIGHT: 427.70392
SMILES: CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCC)O
Structure:
CAS RN: 13031-64-6
CAS Name: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]acetamide
OPENEYE Name: N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]acetamide
IUPAC Name: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]acetamide
SYSTEMATIC NAME: N-[(2S,3R)-1,3-bis(oxidanyl)octadecan-2-yl]ethanamide
MOLECULAR FORMULA: C20H41NO3
MOLECULAR WEIGHT: 343.54444
SMILES: CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)C)O
Structure:
CAS RN: 905973-89-9
CAS Name: 2,2-diphenyl-N-[2,2,2-trichloro-1-[[(4-fluoro-3-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide
OPENEYE Name: 2,2-diphenyl-N-[2,2,2-trichloro-1-[(4-fluoro-3-nitro-phenyl)carbamothioylamino]ethyl]acetamide
IUPAC Name: 2,2-diphenyl-N-[2,2,2-trichloro-1-[(4-fluoro-3-nitrophenyl)carbamothioylamino]ethyl]acetamide
SYSTEMATIC NAME: 2,2-diphenyl-N-[2,2,2-tris(chloranyl)-1-[(4-fluoranyl-3-nitro-phenyl)carbamothioylamino]ethyl]ethanamide
MOLECULAR FORMULA: C23H18Cl3FN4O3S
MOLECULAR WEIGHT: 555.836423
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC3=CC(=C(C=C3)F)[N+](=O)[O-]
Structure:
CAS RN: 220792-57-4
CAS Name: (2R)-2-[[6-(3-amino-5-chloroanilino)-9-propan-2-yl-2-purinyl]amino]-3-methyl-1-butanol
OPENEYE Name: (2R)-2-[[6-(3-amino-5-chloro-anilino)-9-isopropyl-purin-2-yl]amino]-3-methyl-butan-1-ol
IUPAC Name: (2R)-2-[[6-(3-amino-5-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
SYSTEMATIC NAME: (2R)-2-[[6-[(3-azanyl-5-chloranyl-phenyl)amino]-9-propan-2-yl-purin-2-yl]amino]-3-methyl-butan-1-ol
MOLECULAR FORMULA: C19H26ClN7O
MOLECULAR WEIGHT: 403.90904
SMILES: CC(C)[C@H](CO)NC1=NC2=C(C(=N1)NC3=CC(=CC(=C3)N)Cl)N=CN2C(C)C
Structure:
CAS RN: 792173-99-0
CAS Name: 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
OPENEYE Name: 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
IUPAC Name: 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
SYSTEMATIC NAME: 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
MOLECULAR FORMULA: C17H13N5O2
MOLECULAR WEIGHT: 319.31742
SMILES: CC1=NC2=C(O1)C=C(C=C2)NC(=O)NC3=C4C(=NC=C3)C=CC=N4
Structure:
CAS RN: 249889-64-3
CAS Name: 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
OPENEYE Name: 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
IUPAC Name: 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
SYSTEMATIC NAME: 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
MOLECULAR FORMULA: C17H13N5O2
MOLECULAR WEIGHT: 319.31742
SMILES: CC1=NC2=C(O1)C=C(C=C2)NC(=O)NC3=C4C(=NC=C3)C=CC=N4
Structure:
CAS RN: 201038-74-6
CAS Name: 3-[[(2R)-2-[2-(4-methyl-1-piperidinyl)ethyl]-1-pyrrolidinyl]sulfonyl]phenol
OPENEYE Name: 3-[(2R)-2-[2-(4-methyl-1-piperidyl)ethyl]pyrrolidin-1-yl]sulfonylphenol
IUPAC Name: 3-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonylphenol
SYSTEMATIC NAME: 3-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonylphenol
MOLECULAR FORMULA: C18H28N2O3S
MOLECULAR WEIGHT: 352.49152
SMILES: CC1CCN(CC1)CC[C@H]2CCCN2S(=O)(=O)C3=CC=CC(=C3)O
Structure:
CAS RN: 174635-53-1
CAS Name: (2R)-2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-2-phenylacetic acid methyl ester
OPENEYE Name: methyl (2R)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
IUPAC Name: methyl (2R)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
SYSTEMATIC NAME: methyl (2R)-2-phenyl-2-[(2-phenylquinolin-4-yl)carbonylamino]ethanoate
MOLECULAR FORMULA: C25H20N2O3
MOLECULAR WEIGHT: 396.4379
SMILES: COC(=O)[C@@H](C1=CC=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4
Structure:
CAS RN: 19545-26-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H24O8
MOLECULAR WEIGHT: 428.43186
SMILES: CC(=O)O[C@@H]1C[C@]2([C@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)C5=COC(=C54)C3=O)COC)C)C
Structure:
CAS RN: 22503-72-6
CAS Name: (3R)-7-chloro-3-methyl-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
OPENEYE Name: (3R)-7-chloro-3-methyl-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
IUPAC Name: (3R)-7-chloro-3-methyl-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
SYSTEMATIC NAME: (3R)-7-chloranyl-3-methyl-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
MOLECULAR FORMULA: C8H9ClN2O2S
MOLECULAR WEIGHT: 232.68726
SMILES: C[C@@H]1NC2=C(C=C(C=C2)Cl)S(=O)(=O)N1
Structure:
CAS RN: 198022-70-7
CAS Name: (5Z,8Z,11Z,14Z)-N-(4-hydroxyphenyl)eicosa-5,8,11,14-tetraenamide
OPENEYE Name: (5Z,8Z,11Z,14Z)-N-(4-hydroxyphenyl)icosa-5,8,11,14-tetraenamide
IUPAC Name: (5Z,8Z,11Z,14Z)-N-(4-hydroxyphenyl)icosa-5,8,11,14-tetraenamide
SYSTEMATIC NAME: (5Z,8Z,11Z,14Z)-N-(4-hydroxyphenyl)icosa-5,8,11,14-tetraenamide
MOLECULAR FORMULA: C26H37NO2
MOLECULAR WEIGHT: 395.57748
SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1=CC=C(C=C1)O
Structure:
CAS RN: 39026-63-6
CAS Name: (1S,3S)-1-aminocyclopentane-1,3-dicarboxylic acid
OPENEYE Name: (1S,3S)-1-aminocyclopentane-1,3-dicarboxylic acid
IUPAC Name: (1S,3S)-1-aminocyclopentane-1,3-dicarboxylic acid
SYSTEMATIC NAME: (1S,3S)-1-azanylcyclopentane-1,3-dicarboxylic acid
MOLECULAR FORMULA: C7H11NO4
MOLECULAR WEIGHT: 173.16654
SMILES: C1C[C@](C[C@H]1C(=O)O)(C(=O)O)N
Structure:
CAS RN: 92138-10-8
CAS Name: (Z)-3-(carbamimidoylthio)-2-propenoic acid
OPENEYE Name: (Z)-3-carbamimidoylsulfanylprop-2-enoic acid
IUPAC Name: (Z)-3-carbamimidoylsulfanylprop-2-enoic acid
SYSTEMATIC NAME: (Z)-3-carbamimidoylsulfanylprop-2-enoic acid
MOLECULAR FORMULA: C4H6N2O2S
MOLECULAR WEIGHT: 146.16764
SMILES: C(=C\SC(=N)N)\C(=O)O
Structure:
CAS RN: 16980-89-5
CAS Name: butanoic acid [(4aR,6R,7R,7aR)-2-oxido-2-oxo-6-[6-(1-oxobutylamino)-9-purinyl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-yl] ester
OPENEYE Name: [(4aR,6R,7R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
IUPAC Name: [(4aR,6R,7R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
SYSTEMATIC NAME: [(4aR,6R,7R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-oxidanidyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
MOLECULAR FORMULA: C18H23N5O8P-
MOLECULAR WEIGHT: 468.377681
SMILES: CCCC(=O)NC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)[O-])OC(=O)CCC
Structure:
CAS RN: 1139-30-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H24O
MOLECULAR WEIGHT: 220.35046
SMILES: C[C@@]12CC[C@@H]3[C@@H](CC3(C)C)C(=C)CC[C@@H]1O2
Structure:
CAS RN: 99497-03-7
CAS Name: (Z)-2-butenedioic acid; 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1H-benzimidazol-2-one
OPENEYE Name: 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-4-piperidyl]-1H-benzimidazol-2-one; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 6-chloranyl-3-[1-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
MOLECULAR FORMULA: C26H28ClN5O6
MOLECULAR WEIGHT: 541.98342
SMILES: C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 83898-65-1
CAS Name: (Z)-2-butenedioic acid; 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1H-benzimidazol-2-one
OPENEYE Name: 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-4-piperidyl]-1H-benzimidazol-2-one; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 6-chloranyl-3-[1-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
MOLECULAR FORMULA: C26H28ClN5O6
MOLECULAR WEIGHT: 541.98342
SMILES: C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 56974-61-9
CAS Name: 4-[6-(diaminomethylideneamino)-1-oxohexoxy]benzoic acid ethyl ester; methanesulfonic acid
OPENEYE Name: ethyl 4-(6-guanidinohexanoyloxy)benzoate; methanesulfonic acid
IUPAC Name: ethyl 4-[6-(diaminomethylideneamino)hexanoyloxy]benzoate; methanesulfonic acid
SYSTEMATIC NAME: ethyl 4-[6-[bis(azanyl)methylideneamino]hexanoyloxy]benzoate; methanesulfonic acid
MOLECULAR FORMULA: C17H27N3O7S
MOLECULAR WEIGHT: 417.47718
SMILES: CCOC(=O)C1=CC=C(C=C1)OC(=O)CCCCCN=C(N)N.CS(=O)(=O)O
Structure:
CAS RN: 583057-48-1
CAS Name: 1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
OPENEYE Name: 1-[(2R)-2-[(7-chlorobenzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
IUPAC Name: 1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
SYSTEMATIC NAME: 1-[(2R)-2-[(7-chloranyl-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
MOLECULAR FORMULA: C20H15Cl3N2OS
MOLECULAR WEIGHT: 437.7699
SMILES: C1=CC2=C(C(=C1)Cl)SC=C2CO[C@@H](CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
Structure:
CAS RN: 67-20-9
CAS Name: 1-[(E)-(5-nitro-2-furanyl)methylideneamino]imidazolidine-2,4-dione
OPENEYE Name: 1-[(E)-(5-nitro-2-furyl)methyleneamino]imidazolidine-2,4-dione
IUPAC Name: 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
SYSTEMATIC NAME: 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
MOLECULAR FORMULA: C8H6N4O5
MOLECULAR WEIGHT: 238.15704
SMILES: C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-]
Structure:
CAS RN: 96316-00-6
CAS Name: 1-[1-(3-isothiocyanatophenyl)cyclohexyl]piperidine; methanesulfonic acid
OPENEYE Name: 1-[1-(3-isothiocyanatophenyl)cyclohexyl]piperidine; methanesulfonic acid
IUPAC Name: 1-[1-(3-isothiocyanatophenyl)cyclohexyl]piperidine; methanesulfonic acid
SYSTEMATIC NAME: 1-[1-(3-isothiocyanatophenyl)cyclohexyl]piperidine; methanesulfonic acid
MOLECULAR FORMULA: C19H28N2O3S2
MOLECULAR WEIGHT: 396.56722
SMILES: CS(=O)(=O)O.C1CCC(CC1)(C2=CC(=CC=C2)N=C=S)N3CCCCC3
Structure:
CAS RN: 14663-23-1
CAS Name: sodium 3-[(E)-[5-(4-nitrophenyl)-2-furanyl]methylideneamino]-5-oxo-4H-imidazol-2-olate
OPENEYE Name: sodium 3-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-5-oxo-4H-imidazol-2-olate
IUPAC Name: sodium 3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-oxo-4H-imidazol-2-olate
SYSTEMATIC NAME: sodium 3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-oxidanylidene-4H-imidazol-2-olate
MOLECULAR FORMULA: C14H9N4NaO5
MOLECULAR WEIGHT: 336.23483
SMILES: C1C(=O)N=C(N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-].[Na+]
Structure:
CAS RN: 24868-20-0
CAS Name: sodium 3-[(E)-[5-(4-nitrophenyl)-2-furanyl]methylideneamino]-5-oxo-4H-imidazol-2-olate
OPENEYE Name: sodium 3-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-5-oxo-4H-imidazol-2-olate
IUPAC Name: sodium 3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-oxo-4H-imidazol-2-olate
SYSTEMATIC NAME: sodium 3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-oxidanylidene-4H-imidazol-2-olate
MOLECULAR FORMULA: C14H9N4NaO5
MOLECULAR WEIGHT: 336.23483
SMILES: C1C(=O)N=C(N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-].[Na+]
Structure:
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