CAS RN: 6974-77-2
CAS Name: (2S)-1-bromo-3-chloro-2-methylpropane
OPENEYE Name: (2S)-1-bromo-3-chloro-2-methyl-propane
IUPAC Name: (2S)-1-bromo-3-chloro-2-methylpropane
SYSTEMATIC NAME: (2S)-1-bromanyl-3-chloranyl-2-methyl-propane
MOLECULAR FORMULA: C4H8BrCl
MOLECULAR WEIGHT: 171.46332
SMILES: C[C@@H](CCl)CBr
Structure:
CAS RN: 1362-42-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H40O6
MOLECULAR WEIGHT: 496.635
SMILES: C[C@H]1[C@@H]2CC[C@](C3[C@@H]4[C@H]5C=C([C@@]6([C@@H]4C(=C3[C@H]2OC1=O)C)[C@H]5[C@@](CC[C@@H]7[C@@H]6OC(=O)[C@H]7C)(C)O)C)(C)O
Structure:
CAS RN: 23509-16-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H42N2O6
MOLECULAR WEIGHT: 538.67498
SMILES: CC1=CNC(=C1C(=O)O[C@H](C)C2=CC[C@@]34[C@@]2(C[C@H]([C@@]56C3=CC[C@H]7[C@@]5(CCC(C7)(O6)O)C)O)CN(CCO4)C)C
Structure:
CAS RN: 145525-41-3
CAS Name: calcium (2S)-4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-4-oxo-2-(phenylmethyl)butanoate
OPENEYE Name: calcium (2S)-4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxo-butanoate
IUPAC Name: calcium (2S)-4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate
SYSTEMATIC NAME: calcium (2S)-4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-4-oxidanylidene-2-(phenylmethyl)butanoate
MOLECULAR FORMULA: C38H48CaN2O6
MOLECULAR WEIGHT: 668.87552
SMILES: C1CC[C@H]2CN(C[C@H]2C1)C(=O)C[C@H](CC3=CC=CC=C3)C(=O)[O-].C1CC[C@H]2CN(C[C@H]2C1)C(=O)C[C@H](CC3=CC=CC=C3)C(=O)[O-].[Ca+2]
Structure:
CAS RN: 26305-03-3
CAS Name: (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]-1-oxobutyl]amino]-1-oxoheptyl]amino]-1-oxopropyl]amino]-6-methylheptanoic acid
OPENEYE Name: (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methyl-heptanoic acid
IUPAC Name: (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
SYSTEMATIC NAME: (3S,4S)-6-methyl-4-[[(2S)-2-[[(3S,4S)-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]-3-oxidanyl-heptanoyl]amino]propanoyl]amino]-3-oxidanyl-heptanoic acid
MOLECULAR FORMULA: C34H63N5O9
MOLECULAR WEIGHT: 685.89212
SMILES: C[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)O)O)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O
Structure:
CAS RN: 73819-49-5
CAS Name: 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[(E)-2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]ethenyl]-1H-indole
OPENEYE Name: 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[(E)-2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]vinyl]-1H-indole
IUPAC Name: 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[(E)-2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]ethenyl]-1H-indole
SYSTEMATIC NAME: 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[(E)-2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]phenyl]ethenyl]-1H-indole
MOLECULAR FORMULA: C28H25N5O
MOLECULAR WEIGHT: 447.531
SMILES: C1CN=C(N1)C2=CC=C(C=C2)OC3=CC=C(C=C3)/C=C/C4=CC5=C(N4)C=C(C=C5)C6=NCCN6
Structure:
CAS RN: 73819-63-3
CAS Name: 2-(diaminomethylidene)-6-indolecarboximidamide
OPENEYE Name: 2-(diaminomethylene)indole-6-carboxamidine
IUPAC Name: 2-(diaminomethylidene)indole-6-carboximidamide
SYSTEMATIC NAME: 2-[bis(azanyl)methylidene]indole-6-carboximidamide
MOLECULAR FORMULA: C10H11N5
MOLECULAR WEIGHT: 201.22784
SMILES: C1=CC(=CC2=NC(=C(N)N)C=C21)C(=N)N
Structure:
CAS RN: 73819-35-9
CAS Name: 2-[(1E,3E,5E)-6-(5-carbamimidoyl-2-benzofuranyl)hexa-1,3,5-trienyl]-5-benzofurancarboximidamide
OPENEYE Name: 2-[(1E,3E,5E)-6-(5-carbamimidoylbenzofuran-2-yl)hexa-1,3,5-trienyl]benzofuran-5-carboxamidine
IUPAC Name: 2-[(1E,3E,5E)-6-(5-carbamimidoyl-1-benzofuran-2-yl)hexa-1,3,5-trienyl]-1-benzofuran-5-carboximidamide
SYSTEMATIC NAME: 2-[(1E,3E,5E)-6-(5-carbamimidoyl-1-benzofuran-2-yl)hexa-1,3,5-trienyl]-1-benzofuran-5-carboximidamide
MOLECULAR FORMULA: C24H20N4O2
MOLECULAR WEIGHT: 396.4412
SMILES: C1=CC2=C(C=C(O2)/C=C/C=C/C=C/C3=CC4=C(O3)C=CC(=C4)C(=N)N)C=C1C(=N)N
Structure:
CAS RN: 73819-60-0
CAS Name: 2-[4-[(1E,3E)-4-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-benzofuranyl]buta-1,3-dienyl]phenyl]-4,5-dihydro-1H-imidazole
OPENEYE Name: 2-[4-[(1E,3E)-4-[5-(4,5-dihydro-1H-imidazol-2-yl)benzofuran-2-yl]buta-1,3-dienyl]phenyl]-4,5-dihydro-1H-imidazole
IUPAC Name: 2-[4-[(1E,3E)-4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]buta-1,3-dienyl]phenyl]-4,5-dihydro-1H-imidazole
SYSTEMATIC NAME: 2-[4-[(1E,3E)-4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]buta-1,3-dienyl]phenyl]-4,5-dihydro-1H-imidazole
MOLECULAR FORMULA: C24H22N4O
MOLECULAR WEIGHT: 382.45768
SMILES: C1CN=C(N1)C2=CC=C(C=C2)/C=C/C=C/C3=CC4=C(O3)C=CC(=C4)C5=NCCN5
Structure:
CAS RN: 73819-55-3
CAS Name: 2-[(1E,3E)-4-(4-carbamimidoylphenyl)buta-1,3-dienyl]-5-benzofurancarboximidamide
OPENEYE Name: 2-[(1E,3E)-4-(4-carbamimidoylphenyl)buta-1,3-dienyl]benzofuran-5-carboxamidine
IUPAC Name: 2-[(1E,3E)-4-(4-carbamimidoylphenyl)buta-1,3-dienyl]-1-benzofuran-5-carboximidamide
SYSTEMATIC NAME: 2-[(1E,3E)-4-(4-carbamimidoylphenyl)buta-1,3-dienyl]-1-benzofuran-5-carboximidamide
MOLECULAR FORMULA: C20H18N4O
MOLECULAR WEIGHT: 330.38312
SMILES: C1=CC(=CC=C1/C=C/C=C/C2=CC3=C(O2)C=CC(=C3)C(=N)N)C(=N)N
Structure:
CAS RN: 73819-59-7
CAS Name: 2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-benzofuranyl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole
OPENEYE Name: 2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)benzofuran-2-yl]vinyl]phenyl]-4,5-dihydro-1H-imidazole
IUPAC Name: 2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole
SYSTEMATIC NAME: 2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole
MOLECULAR FORMULA: C22H20N4O
MOLECULAR WEIGHT: 356.4204
SMILES: C1CN=C(N1)C2=CC=C(C=C2)/C=C/C3=CC4=C(O3)C=CC(=C4)C5=NCCN5
Structure:
CAS RN: 73819-50-8
CAS Name: 2-[(E)-2-(4-carbamimidoylphenyl)ethenyl]-5-benzofurancarboximidamide
OPENEYE Name: 2-[(E)-2-(4-carbamimidoylphenyl)vinyl]benzofuran-5-carboxamidine
IUPAC Name: 2-[(E)-2-(4-carbamimidoylphenyl)ethenyl]-1-benzofuran-5-carboximidamide
SYSTEMATIC NAME: 2-[(E)-2-(4-carbamimidoylphenyl)ethenyl]-1-benzofuran-5-carboximidamide
MOLECULAR FORMULA: C18H16N4O
MOLECULAR WEIGHT: 304.34584
SMILES: C1=CC(=CC=C1/C=C/C2=CC3=C(O2)C=CC(=C3)C(=N)N)C(=N)N
Structure:
CAS RN: 73819-29-1
CAS Name: 2-[(E)-2-(5-carbamimidoyl-2-benzofuranyl)ethenyl]-6-benzofurancarboximidamide
OPENEYE Name: 2-[(E)-2-(5-carbamimidoylbenzofuran-2-yl)vinyl]benzofuran-6-carboxamidine
IUPAC Name: 2-[(E)-2-(5-carbamimidoyl-1-benzofuran-2-yl)ethenyl]-1-benzofuran-6-carboximidamide
SYSTEMATIC NAME: 2-[(E)-2-(5-carbamimidoyl-1-benzofuran-2-yl)ethenyl]-1-benzofuran-6-carboximidamide
MOLECULAR FORMULA: C20H16N4O2
MOLECULAR WEIGHT: 344.36664
SMILES: C1=CC2=C(C=C1C(=N)N)OC(=C2)/C=C/C3=CC4=C(O3)C=CC(=C4)C(=N)N
Structure:
CAS RN: 73819-30-4
CAS Name: 2-[(E)-2-(6-carbamimidoyl-2-benzofuranyl)ethenyl]-6-benzofurancarboximidamide
OPENEYE Name: 2-[(E)-2-(6-carbamimidoylbenzofuran-2-yl)vinyl]benzofuran-6-carboxamidine
IUPAC Name: 2-[(E)-2-(6-carbamimidoyl-1-benzofuran-2-yl)ethenyl]-1-benzofuran-6-carboximidamide
SYSTEMATIC NAME: 2-[(E)-2-(6-carbamimidoyl-1-benzofuran-2-yl)ethenyl]-1-benzofuran-6-carboximidamide
MOLECULAR FORMULA: C20H16N4O2
MOLECULAR WEIGHT: 344.36664
SMILES: C1=CC2=C(C=C1C(=N)N)OC(=C2)/C=C/C3=CC4=C(O3)C=C(C=C4)C(=N)N
Structure:
CAS RN: 105212-30-4
CAS Name: 2-[(E)-2-(5-carbamimidoyl-2-benzofuranyl)ethenyl]-1H-indole-6-carboximidamide
OPENEYE Name: 2-[(E)-2-(5-carbamimidoylbenzofuran-2-yl)vinyl]-1H-indole-6-carboxamidine
IUPAC Name: 2-[(E)-2-(5-carbamimidoyl-1-benzofuran-2-yl)ethenyl]-1H-indole-6-carboximidamide
SYSTEMATIC NAME: 2-[(E)-2-(5-carbamimidoyl-1-benzofuran-2-yl)ethenyl]-1H-indole-6-carboximidamide
MOLECULAR FORMULA: C20H17N5O
MOLECULAR WEIGHT: 343.38188
SMILES: C1=CC2=C(C=C1C(=N)N)NC(=C2)/C=C/C3=CC4=C(O3)C=CC(=C4)C(=N)N
Structure:
CAS RN: 73819-41-7
CAS Name: 2-[(E)-2-(5-carbamimidoyl-2-benzofuranyl)ethenyl]-1H-indole-6-carboximidamide
OPENEYE Name: 2-[(E)-2-(5-carbamimidoylbenzofuran-2-yl)vinyl]-1H-indole-6-carboxamidine
IUPAC Name: 2-[(E)-2-(5-carbamimidoyl-1-benzofuran-2-yl)ethenyl]-1H-indole-6-carboximidamide
SYSTEMATIC NAME: 2-[(E)-2-(5-carbamimidoyl-1-benzofuran-2-yl)ethenyl]-1H-indole-6-carboximidamide
MOLECULAR FORMULA: C20H17N5O
MOLECULAR WEIGHT: 343.38188
SMILES: C1=CC2=C(C=C1C(=N)N)NC(=C2)/C=C/C3=CC4=C(O3)C=CC(=C4)C(=N)N
Structure:
CAS RN: 66639-23-4
CAS Name: 2-[(E)-2-(6-carbamimidoyl-1H-benzimidazol-2-yl)ethenyl]-3H-benzimidazole-5-carboximidamide
OPENEYE Name: 2-[(E)-2-(6-carbamimidoyl-1H-benzimidazol-2-yl)vinyl]-3H-benzimidazole-5-carboxamidine
IUPAC Name: 2-[(E)-2-(6-carbamimidoyl-1H-benzimidazol-2-yl)ethenyl]-3H-benzimidazole-5-carboximidamide
SYSTEMATIC NAME: 2-[(E)-2-(6-carbamimidoyl-1H-benzimidazol-2-yl)ethenyl]-3H-benzimidazole-5-carboximidamide
MOLECULAR FORMULA: C18H16N8
MOLECULAR WEIGHT: 344.37324
SMILES: C1=CC2=C(C=C1C(=N)N)NC(=N2)/C=C/C3=NC4=C(N3)C=C(C=C4)C(=N)N
Structure:
CAS RN: 73819-31-5
CAS Name: 2-[(E)-2-(5-carbamimidoyl-3-methyl-2-benzofuranyl)ethenyl]-3-methyl-5-benzofurancarboximidamide
OPENEYE Name: 2-[(E)-2-(5-carbamimidoyl-3-methyl-benzofuran-2-yl)vinyl]-3-methyl-benzofuran-5-carboxamidine
IUPAC Name: 2-[(E)-2-(5-carbamimidoyl-3-methyl-1-benzofuran-2-yl)ethenyl]-3-methyl-1-benzofuran-5-carboximidamide
SYSTEMATIC NAME: 2-[(E)-2-(5-carbamimidoyl-3-methyl-1-benzofuran-2-yl)ethenyl]-3-methyl-1-benzofuran-5-carboximidamide
MOLECULAR FORMULA: C22H20N4O2
MOLECULAR WEIGHT: 372.4198
SMILES: CC1=C(OC2=C1C=C(C=C2)C(=N)N)/C=C/C3=C(C4=C(O3)C=CC(=C4)C(=N)N)C
Structure:
CAS RN: 4547-72-2
CAS Name: 7-(8-formyl-6,7-dihydroxy-3-methyl-1,4-dioxo-5-propan-2-yl-2-naphthalenyl)-2,3-dihydroxy-6-methyl-5,8-dioxo-4-propan-2-yl-1-naphthalenecarboxaldehyde
OPENEYE Name: 7-(8-formyl-6,7-dihydroxy-5-isopropyl-3-methyl-1,4-dioxo-2-naphthyl)-2,3-dihydroxy-4-isopropyl-6-methyl-5,8-dioxo-naphthalene-1-carbaldehyde
IUPAC Name: 7-(8-formyl-6,7-dihydroxy-3-methyl-1,4-dioxo-5-propan-2-ylnaphthalen-2-yl)-2,3-dihydroxy-6-methyl-5,8-dioxo-4-propan-2-ylnaphthalene-1-carbaldehyde
SYSTEMATIC NAME: 7-[8-methanoyl-3-methyl-6,7-bis(oxidanyl)-1,4-bis(oxidanylidene)-5-propan-2-yl-naphthalen-2-yl]-6-methyl-2,3-bis(oxidanyl)-5,8-bis(oxidanylidene)-4-propan-2-yl-naphthalene-1-carbaldehyde
MOLECULAR FORMULA: C30H26O10
MOLECULAR WEIGHT: 546.52144
SMILES: CC1=C(C(=O)C2=C(C1=O)C(=C(C(=C2C=O)O)O)C(C)C)C3=C(C(=O)C4=C(C3=O)C(=C(C(=C4C(C)C)O)O)C=O)C
Structure:
CAS RN: 5774-31-2
CAS Name: 2-[(E)-2-(5-nitro-2-furanyl)ethenyl]-4-quinolinecarboxylic acid
OPENEYE Name: 2-[(E)-2-(5-nitro-2-furyl)vinyl]quinoline-4-carboxylic acid
IUPAC Name: 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxylic acid
SYSTEMATIC NAME: 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxylic acid
MOLECULAR FORMULA: C16H10N2O5
MOLECULAR WEIGHT: 310.261
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)/C=C/C3=CC=C(O3)[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 90842-96-9
CAS Name: 2-[[(Z)-3-indolylidenemethyl]amino]-1-nitroguanidine
OPENEYE Name: 2-[[(Z)-indol-3-ylidenemethyl]amino]-1-nitro-guanidine
IUPAC Name: 2-[[(Z)-indol-3-ylidenemethyl]amino]-1-nitroguanidine
SYSTEMATIC NAME: 2-[[(Z)-indol-3-ylidenemethyl]amino]-1-nitro-guanidine
MOLECULAR FORMULA: C10H10N6O2
MOLECULAR WEIGHT: 246.2254
SMILES: C1=CC=C2C(=C1)/C(=C/N/N=C(/N)\N[N+](=O)[O-])/C=N2
Structure:
CAS RN: 10038-76-3
CAS Name: (E)-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxo-2-butenethioic acid S-(2-acetamido-1-naphthalenyl) ester
OPENEYE Name: S-(2-acetamido-1-naphthyl) (E)-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxo-but-2-enethioate
IUPAC Name: S-(2-acetamidonaphthalen-1-yl) (E)-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxobut-2-enethioate
SYSTEMATIC NAME: S-(2-acetamidonaphthalen-1-yl) (E)-4-[(7-fluoranyl-9H-fluoren-2-yl)amino]-4-oxidanylidene-but-2-enethioate
MOLECULAR FORMULA: C29H21FN2O3S
MOLECULAR WEIGHT: 496.552043
SMILES: CC(=O)NC1=C(C2=CC=CC=C2C=C1)SC(=O)/C=C/C(=O)NC3=CC4=C(C=C3)C5=C(C4)C=C(C=C5)F
Structure:
CAS RN: 2764-91-2
CAS Name: 3-[(E)-pentadec-8-enyl]benzene-1,2-diol
OPENEYE Name: 3-[(E)-pentadec-8-enyl]benzene-1,2-diol
IUPAC Name: 3-[(E)-pentadec-8-enyl]benzene-1,2-diol
SYSTEMATIC NAME: 3-[(E)-pentadec-8-enyl]benzene-1,2-diol
MOLECULAR FORMULA: C21H34O2
MOLECULAR WEIGHT: 318.49346
SMILES: CCCCCC/C=C/CCCCCCCC1=C(C(=CC=C1)O)O
Structure:
CAS RN: 132-38-7
CAS Name: (3Z)-6-acetamido-4-oxo-3-[(4-sulfamoylphenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid
OPENEYE Name: (3Z)-6-acetamido-4-oxo-3-[(4-sulfamoylphenyl)hydrazono]naphthalene-2,7-disulfonic acid
IUPAC Name: (3Z)-6-acetamido-4-oxo-3-[(4-sulfamoylphenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: (3Z)-6-acetamido-4-oxidanylidene-3-[(4-sulfamoylphenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C18H16N4O10S3
MOLECULAR WEIGHT: 544.53544
SMILES: CC(=O)NC1=C(C=C2C=C(/C(=N\NC3=CC=C(C=C3)S(=O)(=O)N)/C(=O)C2=C1)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 7474-34-2
CAS Name: 4-methyl-N-[(Z)-2-phenyl-1,2-bis(2,4,6-trimethylphenyl)ethenyl]aniline
OPENEYE Name: 4-methyl-N-[(Z)-2-phenyl-1,2-bis(2,4,6-trimethylphenyl)vinyl]aniline
IUPAC Name: 4-methyl-N-[(Z)-2-phenyl-1,2-bis(2,4,6-trimethylphenyl)ethenyl]aniline
SYSTEMATIC NAME: 4-methyl-N-[(Z)-2-phenyl-1,2-bis(2,4,6-trimethylphenyl)ethenyl]aniline
MOLECULAR FORMULA: C33H35N
MOLECULAR WEIGHT: 445.6377
SMILES: CC1=CC=C(C=C1)N/C(=C(/C2=CC=CC=C2)\C3=C(C=C(C=C3C)C)C)/C4=C(C=C(C=C4C)C)C
Structure:
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