CAS RN: 255393-53-4
CAS Name: 2-(2-ethoxyphenyl)ethanol
OPENEYE Name: 2-(2-ethoxyphenyl)ethanol
IUPAC Name: 2-(2-ethoxyphenyl)ethanol
SYSTEMATIC NAME: 2-(2-ethoxyphenyl)ethanol
MOLECULAR FORMULA: C10H14O2
MOLECULAR WEIGHT: 166.21696
SMILES: CCOC1=CC=CC=C1CCO
Structure:
CAS RN: 15805-92-2
CAS Name: 1-(hydroxymethyl)-1-cyclohexanol
OPENEYE Name: 1-(hydroxymethyl)cyclohexanol
IUPAC Name: 1-(hydroxymethyl)cyclohexan-1-ol
SYSTEMATIC NAME: 1-(hydroxymethyl)cyclohexan-1-ol
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: C1CCC(CC1)(CO)O
Structure:
CAS RN: 89315-20-8
CAS Name: 2-methyl-2-phenyl-1,3-dioxane
OPENEYE Name: 2-methyl-2-phenyl-1,3-dioxane
IUPAC Name: 2-methyl-2-phenyl-1,3-dioxane
SYSTEMATIC NAME: 2-methyl-2-phenyl-1,3-dioxane
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC1(OCCCO1)C2=CC=CC=C2
Structure:
CAS RN: 65157-83-7
CAS Name: 2-(4-morpholinyl)butanedinitrile
OPENEYE Name: 2-morpholinobutanedinitrile
IUPAC Name: 2-morpholin-4-ylbutanedinitrile
SYSTEMATIC NAME: 2-morpholin-4-ylbutanedinitrile
MOLECULAR FORMULA: C8H11N3O
MOLECULAR WEIGHT: 165.19244
SMILES: C1COCCN1C(CC#N)C#N
Structure:
CAS RN: 7341-98-2
CAS Name: 2-(4-morpholinyl)butanedinitrile
OPENEYE Name: 2-morpholinobutanedinitrile
IUPAC Name: 2-morpholin-4-ylbutanedinitrile
SYSTEMATIC NAME: 2-morpholin-4-ylbutanedinitrile
MOLECULAR FORMULA: C8H11N3O
MOLECULAR WEIGHT: 165.19244
SMILES: C1COCCN1C(CC#N)C#N
Structure:
CAS RN: 7150-38-1
CAS Name: N-[2-(4-ethoxyanilino)-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide
OPENEYE Name: N-[2-(4-ethoxyanilino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
IUPAC Name: N-[2-(4-ethoxyanilino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SYSTEMATIC NAME: N-[2-[(4-ethoxyphenyl)amino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
MOLECULAR FORMULA: C16H24N2O6
MOLECULAR WEIGHT: 340.37156
SMILES: CCOC1=CC=C(C=C1)NC2C(C(C(C(O2)CO)O)O)NC(=O)C
Structure:
CAS RN: 3506-75-0
CAS Name: 1-(2,4,6-trimethylphenyl)-1-butanone
OPENEYE Name: 1-(2,4,6-trimethylphenyl)butan-1-one
IUPAC Name: 1-(2,4,6-trimethylphenyl)butan-1-one
SYSTEMATIC NAME: 1-(2,4,6-trimethylphenyl)butan-1-one
MOLECULAR FORMULA: C13H18O
MOLECULAR WEIGHT: 190.28142
SMILES: CCCC(=O)C1=C(C=C(C=C1C)C)C
Structure:
CAS RN: 7391-40-4
CAS Name: 2-cyano-N,N-dimethylacetamide
OPENEYE Name: 2-cyano-N,N-dimethyl-acetamide
IUPAC Name: 2-cyano-N,N-dimethylacetamide
SYSTEMATIC NAME: 2-cyano-N,N-dimethyl-ethanamide
MOLECULAR FORMULA: C5H8N2O
MOLECULAR WEIGHT: 112.12982
SMILES: CN(C)C(=O)CC#N
Structure:
CAS RN: 6953-52-2
CAS Name: 2,4-diamino-6-(4-iodoanilino)-5-pyrimidinecarbonitrile
OPENEYE Name: 2,4-diamino-6-(4-iodoanilino)pyrimidine-5-carbonitrile
IUPAC Name: 2,4-diamino-6-(4-iodoanilino)pyrimidine-5-carbonitrile
SYSTEMATIC NAME: 2,4-bis(azanyl)-6-[(4-iodophenyl)amino]pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C11H9IN6
MOLECULAR WEIGHT: 352.13383
SMILES: C1=CC(=CC=C1NC2=NC(=NC(=C2C#N)N)N)I
Structure:
CAS RN: 5632-32-6
CAS Name: 1-(hydroxyamino)-1-cyclohexanecarbonitrile
OPENEYE Name: 1-(hydroxyamino)cyclohexanecarbonitrile
IUPAC Name: 1-(hydroxyamino)cyclohexane-1-carbonitrile
SYSTEMATIC NAME: 1-(oxidanylamino)cyclohexane-1-carbonitrile
MOLECULAR FORMULA: C7H12N2O
MOLECULAR WEIGHT: 140.18298
SMILES: C1CCC(CC1)(C#N)NO
Structure:
CAS RN: 6953-46-4
CAS Name: N-[2-oxo-2-[3-[[1-oxo-2-[[oxo(2-quinoxalinyl)methyl]amino]ethyl]amino]propylamino]ethyl]-2-quinoxalinecarboxamide
OPENEYE Name: N-[2-oxo-2-[3-[[2-(quinoxaline-2-carbonylamino)acetyl]amino]propylamino]ethyl]quinoxaline-2-carboxamide
IUPAC Name: N-[2-oxo-2-[3-[[2-(quinoxaline-2-carbonylamino)acetyl]amino]propylamino]ethyl]quinoxaline-2-carboxamide
SYSTEMATIC NAME: N-[2-oxidanylidene-2-[3-[2-(quinoxalin-2-ylcarbonylamino)ethanoylamino]propylamino]ethyl]quinoxaline-2-carboxamide
MOLECULAR FORMULA: C25H24N8O4
MOLECULAR WEIGHT: 500.50926
SMILES: C1=CC=C2C(=C1)N=CC(=N2)C(=O)NCC(=O)NCCCNC(=O)CNC(=O)C3=NC4=CC=CC=C4N=C3
Structure:
CAS RN: 6953-45-3
CAS Name: 5-amino-2,4-dioxo-1H-pyrimidine-6-sulfonic acid
OPENEYE Name: 5-amino-2,4-dioxo-1H-pyrimidine-6-sulfonic acid
IUPAC Name: 5-amino-2,4-dioxo-1H-pyrimidine-6-sulfonic acid
SYSTEMATIC NAME: 5-azanyl-2,4-bis(oxidanylidene)-1H-pyrimidine-6-sulfonic acid
MOLECULAR FORMULA: C4H5N3O5S
MOLECULAR WEIGHT: 207.1646
SMILES: C1(=C(NC(=O)NC1=O)S(=O)(=O)O)N
Structure:
CAS RN: 9077-53-6
CAS Name: 5,6,7,8-tetramethoxy-2-(4-propoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5,6,7,8-tetramethoxy-2-(4-propoxyphenyl)chromen-4-one
IUPAC Name: 5,6,7,8-tetramethoxy-2-(4-propoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 5,6,7,8-tetramethoxy-2-(4-propoxyphenyl)chromen-4-one
MOLECULAR FORMULA: C22H24O7
MOLECULAR WEIGHT: 400.42176
SMILES: CCCOC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC
Structure:
CAS RN: 70460-29-6
CAS Name: 2-(3,5-dimethoxyphenyl)-5,6,7,8-tetramethoxy-1-benzopyran-4-one
OPENEYE Name: 2-(3,5-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one
IUPAC Name: 2-(3,5-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
SYSTEMATIC NAME: 2-(3,5-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one
MOLECULAR FORMULA: C21H22O8
MOLECULAR WEIGHT: 402.39458
SMILES: COC1=CC(=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC
Structure:
CAS RN: 70460-28-5
CAS Name: 2-(2,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-1-benzopyran-4-one
OPENEYE Name: 2-(2,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one
IUPAC Name: 2-(2,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
SYSTEMATIC NAME: 2-(2,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one
MOLECULAR FORMULA: C21H22O8
MOLECULAR WEIGHT: 402.39458
SMILES: COC1=CC(=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC
Structure:
CAS RN: 70460-30-9
CAS Name: 2-(2,5-dimethoxyphenyl)-5,6,7,8-tetramethoxy-1-benzopyran-4-one
OPENEYE Name: 2-(2,5-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one
IUPAC Name: 2-(2,5-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
SYSTEMATIC NAME: 2-(2,5-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one
MOLECULAR FORMULA: C21H22O8
MOLECULAR WEIGHT: 402.39458
SMILES: COC1=CC(=C(C=C1)OC)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC
Structure:
CAS RN: 16556-55-1
CAS Name: acetic acid [(8R,9S,13S,14S,17S)-17-acetyloxy-13,17-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(8R,9S,13S,14S,17S)-17-acetoxy-13,17-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(8R,9S,13S,14S,17S)-17-acetyloxy-13,17-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(8R,9S,13S,14S,17S)-17-acetyloxy-13,17-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C23H30O4
MOLECULAR WEIGHT: 370.4819
SMILES: CC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@]4(C)OC(=O)C)C
Structure:
CAS RN: 67055-59-8
CAS Name: (3S,5S,8R,9S,10S,13R,14S,17R)-3-(cyclohexylmethoxy)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
OPENEYE Name: (3S,5S,8R,9S,10S,13R,14S,17R)-3-(cyclohexylmethoxy)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
IUPAC Name: (3S,5S,8R,9S,10S,13R,14S,17R)-3-(cyclohexylmethoxy)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: (3S,5S,8R,9S,10S,13R,14S,17R)-3-(cyclohexylmethoxy)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C34H60O
MOLECULAR WEIGHT: 484.8396
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OCC5CCCCC5)C)C
Structure:
CAS RN: 105121-95-7
CAS Name: cyclohexanecarboxylic acid [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] cyclohexanecarboxylate
IUPAC Name: [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] cyclohexanecarboxylate
SYSTEMATIC NAME: [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] cyclohexanecarboxylate
MOLECULAR FORMULA: C34H58O2
MOLECULAR WEIGHT: 498.82312
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C5CCCCC5)C)C
Structure:
CAS RN: 6953-42-0
CAS Name: 5-[2-amino-6-(phenylmethylthio)-9-purinyl]-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: 5-(2-amino-6-benzylsulfanyl-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: 5-(2-amino-6-benzylsulfanylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: 5-[2-azanyl-6-(phenylmethylsulfanyl)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C17H19N5O3S
MOLECULAR WEIGHT: 373.42946
SMILES: C1C(C(OC1N2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4)N)CO)O
Structure:
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