CAS RN: 93383-53-0
CAS Name: 4-imino-1-methyl-3-phenyl-2-quinazolinone
OPENEYE Name: 4-imino-1-methyl-3-phenyl-quinazolin-2-one
IUPAC Name: 4-imino-1-methyl-3-phenylquinazolin-2-one
SYSTEMATIC NAME: 4-azanylidene-1-methyl-3-phenyl-quinazolin-2-one
MOLECULAR FORMULA: C15H13N3O
MOLECULAR WEIGHT: 251.28322
SMILES: CN1C2=CC=CC=C2C(=N)N(C1=O)C3=CC=CC=C3
Structure:
CAS RN: 2499-35-6
CAS Name: 1,2-dihydro-[1,2,4]triazino[5,6-b]indol-3-one
OPENEYE Name: 1,2-dihydro-[1,2,4]triazino[5,6-b]indol-3-one
IUPAC Name: 1,2-dihydro-[1,2,4]triazino[5,6-b]indol-3-one
SYSTEMATIC NAME: 1,2-dihydro-[1,2,4]triazino[5,6-b]indol-3-one
MOLECULAR FORMULA: C9H6N4O
MOLECULAR WEIGHT: 186.17014
SMILES: C1=CC2=C3C(=NC(=O)NN3)N=C2C=C1
Structure:
CAS RN: 607-68-1
CAS Name: 2,4-dichloroquinazoline
OPENEYE Name: 2,4-dichloroquinazoline
IUPAC Name: 2,4-dichloroquinazoline
SYSTEMATIC NAME: 2,4-bis(chloranyl)quinazoline
MOLECULAR FORMULA: C8H4Cl2N2
MOLECULAR WEIGHT: 199.03676
SMILES: C1=CC=C2C(=C1)C(=NC(=N2)Cl)Cl
Structure:
CAS RN: 35754-95-1
CAS Name: 4-imino-1-methyl-3-phenyl-2-quinazolinethione
OPENEYE Name: 4-imino-1-methyl-3-phenyl-quinazoline-2-thione
IUPAC Name: 4-imino-1-methyl-3-phenylquinazoline-2-thione
SYSTEMATIC NAME: 4-azanylidene-1-methyl-3-phenyl-quinazoline-2-thione
MOLECULAR FORMULA: C15H13N3S
MOLECULAR WEIGHT: 267.34882
SMILES: CN1C2=CC=CC=C2C(=N)N(C1=S)C3=CC=CC=C3
Structure:
CAS RN: 157371-80-7
CAS Name: 2-[(2-acetamido-1-oxoethyl)amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid ethyl ester
OPENEYE Name: ethyl 2-[(2-acetamidoacetyl)amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate
IUPAC Name: ethyl 2-[(2-acetamidoacetyl)amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate
SYSTEMATIC NAME: ethyl 2-(2-acetamidoethanoylamino)-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate
MOLECULAR FORMULA: C19H27Cl2N3O4
MOLECULAR WEIGHT: 432.34138
SMILES: CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)CNC(=O)C
Structure:
CAS RN: 22738-16-5
CAS Name: thiohypochlorous acid (2,3,4,5,6-pentachlorophenyl) ester
OPENEYE Name: (2,3,4,5,6-pentachlorophenyl) thiohypochlorite
IUPAC Name: (2,3,4,5,6-pentachlorophenyl) thiohypochlorite
SYSTEMATIC NAME: [2,3,4,5,6-pentakis(chloranyl)phenyl] thiohypochlorite
MOLECULAR FORMULA: C6Cl6S
MOLECULAR WEIGHT: 316.8472
SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)SCl
Structure:
CAS RN: 4379-04-8
CAS Name: pentane-1,3,5-tricarbonitrile
OPENEYE Name: pentane-1,3,5-tricarbonitrile
IUPAC Name: pentane-1,3,5-tricarbonitrile
SYSTEMATIC NAME: pentane-1,3,5-tricarbonitrile
MOLECULAR FORMULA: C8H9N3
MOLECULAR WEIGHT: 147.17716
SMILES: C(CC(CCC#N)C#N)C#N
Structure:
CAS RN: 7248-04-6
CAS Name: pentane-1,3,5-tricarbonitrile
OPENEYE Name: pentane-1,3,5-tricarbonitrile
IUPAC Name: pentane-1,3,5-tricarbonitrile
SYSTEMATIC NAME: pentane-1,3,5-tricarbonitrile
MOLECULAR FORMULA: C8H9N3
MOLECULAR WEIGHT: 147.17716
SMILES: C(CC(CCC#N)C#N)C#N
Structure:
CAS RN: 19064-67-6
CAS Name: 3-chloro-1H-pyridazin-6-one
OPENEYE Name: 3-chloro-1H-pyridazin-6-one
IUPAC Name: 3-chloro-1H-pyridazin-6-one
SYSTEMATIC NAME: 3-chloranyl-1H-pyridazin-6-one
MOLECULAR FORMULA: C4H3ClN2O
MOLECULAR WEIGHT: 130.53242
SMILES: C1=CC(=NNC1=O)Cl
Structure:
CAS RN: 41204-65-3
CAS Name: (8R,9S,10R,13S,14S,17S)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol
OPENEYE Name: (8R,9S,10R,13S,14S,17S)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol
IUPAC Name: (8R,9S,10R,13S,14S,17S)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17S)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C18H28O
MOLECULAR WEIGHT: 260.41432
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CCCC[C@H]34
Structure:
CAS RN: 25214-18-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H30O3
MOLECULAR WEIGHT: 342.4718
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)C
Structure:
CAS RN: 22169-32-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H32O3
MOLECULAR WEIGHT: 344.48768
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3([C@H]5C[C@H]5C(=O)C4)C)C
Structure:
CAS RN: 7145-83-7
CAS Name: 2-[2,4,5-trichloro-N-(2-hydroxyethyl)anilino]ethanol
OPENEYE Name: 2-[2,4,5-trichloro-N-(2-hydroxyethyl)anilino]ethanol
IUPAC Name: 2-[2,4,5-trichloro-N-(2-hydroxyethyl)anilino]ethanol
SYSTEMATIC NAME: 2-[2-hydroxyethyl-[2,4,5-tris(chloranyl)phenyl]amino]ethanol
MOLECULAR FORMULA: C10H12Cl3NO2
MOLECULAR WEIGHT: 284.56678
SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)N(CCO)CCO
Structure:
CAS RN: 7145-82-6
CAS Name: 1,2,4-trichloro-5-iodobenzene
OPENEYE Name: 1,2,4-trichloro-5-iodo-benzene
IUPAC Name: 1,2,4-trichloro-5-iodobenzene
SYSTEMATIC NAME: 1,2,4-tris(chloranyl)-5-iodanyl-benzene
MOLECULAR FORMULA: C6H2Cl3I
MOLECULAR WEIGHT: 307.34355
SMILES: C1=C(C(=CC(=C1Cl)I)Cl)Cl
Structure:
CAS RN: 91794-12-6
CAS Name: 1,2,4-trichloro-5-iodobenzene
OPENEYE Name: 1,2,4-trichloro-5-iodo-benzene
IUPAC Name: 1,2,4-trichloro-5-iodobenzene
SYSTEMATIC NAME: 1,2,4-tris(chloranyl)-5-iodanyl-benzene
MOLECULAR FORMULA: C6H2Cl3I
MOLECULAR WEIGHT: 307.34355
SMILES: C1=C(C(=CC(=C1Cl)I)Cl)Cl
Structure:
CAS RN: 71816-20-1
CAS Name: 1-(hydroxymethyl)-9H-fluoren-9-ol
OPENEYE Name: 1-(hydroxymethyl)-9H-fluoren-9-ol
IUPAC Name: 1-(hydroxymethyl)-9H-fluoren-9-ol
SYSTEMATIC NAME: 1-(hydroxymethyl)-9H-fluoren-9-ol
MOLECULAR FORMULA: C14H12O2
MOLECULAR WEIGHT: 212.24388
SMILES: C1=CC=C2C3=C(C(C2=C1)O)C(=CC=C3)CO
Structure:
CAS RN: 2729-59-1
CAS Name: 3-(8-fluoro-2-naphthalenyl)-3-methyl-1-isobenzofuranone
OPENEYE Name: 3-(8-fluoro-2-naphthyl)-3-methyl-isobenzofuran-1-one
IUPAC Name: 3-(8-fluoronaphthalen-2-yl)-3-methyl-2-benzofuran-1-one
SYSTEMATIC NAME: 3-(8-fluoranylnaphthalen-2-yl)-3-methyl-2-benzofuran-1-one
MOLECULAR FORMULA: C19H13FO2
MOLECULAR WEIGHT: 292.303723
SMILES: CC1(C2=CC=CC=C2C(=O)O1)C3=CC4=C(C=CC=C4F)C=C3
Structure:
CAS RN: 93176-75-1
CAS Name: 1-(2-ethyl-3,4,5,6-tetramethylphenyl)ethanol
OPENEYE Name: 1-(2-ethyl-3,4,5,6-tetramethyl-phenyl)ethanol
IUPAC Name: 1-(2-ethyl-3,4,5,6-tetramethylphenyl)ethanol
SYSTEMATIC NAME: 1-(2-ethyl-3,4,5,6-tetramethyl-phenyl)ethanol
MOLECULAR FORMULA: C14H22O
MOLECULAR WEIGHT: 206.32388
SMILES: CCC1=C(C(=C(C(=C1C(C)O)C)C)C)C
Structure:
CAS RN: 38594-42-2
CAS Name: 1,2-diethyl-3,4,5,6-tetramethylbenzene
OPENEYE Name: 1,2-diethyl-3,4,5,6-tetramethyl-benzene
IUPAC Name: 1,2-diethyl-3,4,5,6-tetramethylbenzene
SYSTEMATIC NAME: 1,2-diethyl-3,4,5,6-tetramethyl-benzene
MOLECULAR FORMULA: C14H22
MOLECULAR WEIGHT: 190.32448
SMILES: CCC1=C(C(=C(C(=C1CC)C)C)C)C
Structure:
CAS RN: 38507-87-8
CAS Name: 1,3-diethyl-2,4,5,6-tetramethylbenzene
OPENEYE Name: 1,3-diethyl-2,4,5,6-tetramethyl-benzene
IUPAC Name: 1,3-diethyl-2,4,5,6-tetramethylbenzene
SYSTEMATIC NAME: 1,3-diethyl-2,4,5,6-tetramethyl-benzene
MOLECULAR FORMULA: C14H22
MOLECULAR WEIGHT: 190.32448
SMILES: CCC1=C(C(=C(C(=C1C)C)C)CC)C
Structure:
CAS RN: 19158-20-4
CAS Name: 1-(4-acetyl-2,3,5,6-tetramethylphenyl)ethanone
OPENEYE Name: 1-(4-acetyl-2,3,5,6-tetramethyl-phenyl)ethanone
IUPAC Name: 1-(4-acetyl-2,3,5,6-tetramethylphenyl)ethanone
SYSTEMATIC NAME: 1-(4-ethanoyl-2,3,5,6-tetramethyl-phenyl)ethanone
MOLECULAR FORMULA: C14H18O2
MOLECULAR WEIGHT: 218.29152
SMILES: CC1=C(C(=C(C(=C1C(=O)C)C)C)C(=O)C)C
Structure:
CAS RN: 35656-89-4
CAS Name: 4-(4-bromophenyl)butanoic acid
OPENEYE Name: 4-(4-bromophenyl)butanoic acid
IUPAC Name: 4-(4-bromophenyl)butanoic acid
SYSTEMATIC NAME: 4-(4-bromophenyl)butanoic acid
MOLECULAR FORMULA: C10H11BrO2
MOLECULAR WEIGHT: 243.09714
SMILES: C1=CC(=CC=C1CCCC(=O)O)Br
Structure:
CAS RN: 32281-97-3
CAS Name: 7-bromo-3,4-dihydro-2H-naphthalen-1-one
OPENEYE Name: 7-bromotetralin-1-one
IUPAC Name: 7-bromo-3,4-dihydro-2H-naphthalen-1-one
SYSTEMATIC NAME: 7-bromanyl-3,4-dihydro-2H-naphthalen-1-one
MOLECULAR FORMULA: C10H9BrO
MOLECULAR WEIGHT: 225.08186
SMILES: C1CC2=C(C=C(C=C2)Br)C(=O)C1
Structure:
CAS RN: 38359-86-3
CAS Name: 2-[2-naphthalenyl(oxo)methyl]benzoic acid
OPENEYE Name: 2-(naphthalene-2-carbonyl)benzoic acid
IUPAC Name: 2-(naphthalene-2-carbonyl)benzoic acid
SYSTEMATIC NAME: 2-naphthalen-2-ylcarbonylbenzoic acid
MOLECULAR FORMULA: C18H12O3
MOLECULAR WEIGHT: 276.28608
SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)C3=CC=CC=C3C(=O)O
Structure:
CAS RN: 6341-17-9
CAS Name: 3-[3-iodo-2-(iodomethyl)-2-methylpropyl]-1,2,4,5-tetramethylbenzene
OPENEYE Name: 3-[3-iodo-2-(iodomethyl)-2-methyl-propyl]-1,2,4,5-tetramethyl-benzene
IUPAC Name: 3-[3-iodo-2-(iodomethyl)-2-methylpropyl]-1,2,4,5-tetramethylbenzene
SYSTEMATIC NAME: 3-[3-iodanyl-2-(iodanylmethyl)-2-methyl-propyl]-1,2,4,5-tetramethyl-benzene
MOLECULAR FORMULA: C15H22I2
MOLECULAR WEIGHT: 456.14412
SMILES: CC1=CC(=C(C(=C1C)CC(C)(CI)CI)C)C
Structure:
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