CAS RN: 140605-06-7
CAS Name: (4aS,10bR)-3-cyclohexyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline
OPENEYE Name: (4aS,10bR)-3-cyclohexyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline
IUPAC Name: (4aS,10bR)-3-cyclohexyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline
SYSTEMATIC NAME: (4aS,10bR)-3-cyclohexyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline
MOLECULAR FORMULA: C19H27N
MOLECULAR WEIGHT: 269.42438
SMILES: C1CCC(CC1)N2CC[C@@H]3[C@@H](C2)CCC4=CC=CC=C34
Structure:
CAS RN: 140480-88-2
CAS Name: 1-amino-3-(phosphonomethylidene)-1-cyclobutanecarboxylic acid
OPENEYE Name: 1-amino-3-(phosphonomethylene)cyclobutanecarboxylic acid
IUPAC Name: 1-amino-3-(phosphonomethylidene)cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 1-azanyl-3-(phosphonomethylidene)cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C6H10NO5P
MOLECULAR WEIGHT: 207.121061
SMILES: C1C(=CP(=O)(O)O)CC1(C(=O)O)N
Structure:
CAS RN: 140455-97-6
CAS Name: (3S)-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7,8-diol
OPENEYE Name: (3S)-3-(2,4,5-trimethoxyphenyl)chromane-7,8-diol
IUPAC Name: (3S)-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-7,8-diol
SYSTEMATIC NAME: (3S)-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-7,8-diol
MOLECULAR FORMULA: C18H20O6
MOLECULAR WEIGHT: 332.3478
SMILES: COC1=CC(=C(C=C1[C@@H]2CC3=C(C(=C(C=C3)O)O)OC2)OC)OC
Structure:
CAS RN: 140448-29-9
CAS Name: (2S)-2-[[2-(2-nitro-1-imidazolyl)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester
OPENEYE Name: methyl (2S)-2-[[2-(2-nitroimidazol-1-yl)acetyl]amino]-3-phenyl-propanoate
IUPAC Name: methyl (2S)-2-[[2-(2-nitroimidazol-1-yl)acetyl]amino]-3-phenylpropanoate
SYSTEMATIC NAME: methyl (2S)-2-[2-(2-nitroimidazol-1-yl)ethanoylamino]-3-phenyl-propanoate
MOLECULAR FORMULA: C15H16N4O5
MOLECULAR WEIGHT: 332.31134
SMILES: COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN2C=CN=C2[N+](=O)[O-]
Structure:
CAS RN: 140438-62-6
CAS Name: 2-amino-9-[(3S,4S)-3,4-dihydroxycyclopentyl]-3H-purin-6-one
OPENEYE Name: 2-amino-9-[(3S,4S)-3,4-dihydroxycyclopentyl]-3H-purin-6-one
IUPAC Name: 2-amino-9-[(3S,4S)-3,4-dihydroxycyclopentyl]-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[(3S,4S)-3,4-bis(oxidanyl)cyclopentyl]-3H-purin-6-one
MOLECULAR FORMULA: C10H13N5O3
MOLECULAR WEIGHT: 251.24192
SMILES: C1[C@@H]([C@H](CC1N2C=NC3=C2NC(=NC3=O)N)O)O
Structure:
CAS RN: 140210-37-3
CAS Name: 2-[[9-[5-(phosphonooxymethyl)-2-oxolanyl]-6-purinyl]amino]butanedioic acid
OPENEYE Name: 2-[[9-[5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]butanedioic acid
IUPAC Name: 2-[[9-[5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
SYSTEMATIC NAME: 2-[[9-[5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
MOLECULAR FORMULA: C14H18N5O9P
MOLECULAR WEIGHT: 431.294581
SMILES: C1CC(OC1COP(=O)(O)O)N2C=NC3=C2N=CN=C3NC(CC(=O)O)C(=O)O
Structure:
CAS RN: 140202-46-6
CAS Name: 5-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
OPENEYE Name: 5-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
IUPAC Name: 5-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 5-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
MOLECULAR FORMULA: C10H12NO5P
MOLECULAR WEIGHT: 257.179741
SMILES: C1C(NCC2=C1C(=CC=C2)P(=O)(O)O)C(=O)O
Structure:
CAS RN: 140201-08-7
CAS Name: 1-methyl-4H-pyridine-3-carboxylic acid
OPENEYE Name: 1-methyl-4H-pyridine-3-carboxylic acid
IUPAC Name: 1-methyl-4H-pyridine-3-carboxylic acid
SYSTEMATIC NAME: 1-methyl-4H-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C7H9NO2
MOLECULAR WEIGHT: 139.15186
SMILES: CN1C=CCC(=C1)C(=O)O
Structure:
CAS RN: 140201-07-6
CAS Name: (4aS,10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol hydrobromide
OPENEYE Name: (4aS,10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol hydrobromide
IUPAC Name: (4aS,10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol hydrobromide
SYSTEMATIC NAME: (4aS,10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol hydrobromide
MOLECULAR FORMULA: C14H20BrNO
MOLECULAR WEIGHT: 298.2187
SMILES: CN1CCC[C@@H]2[C@@H]1CCC3=C2C=CC=C3O.Br
Structure:
CAS RN: 140187-23-1
CAS Name: (2S)-2-amino-3-(5-fluoro-2,4-dioxo-1-pyrimidinyl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoic acid
MOLECULAR FORMULA: C7H8FN3O4
MOLECULAR WEIGHT: 217.154523
SMILES: C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)F
Structure:
CAS RN: 140183-68-2
CAS Name: 3a,6-dimethyl-3-(6-methylheptan-2-yl)-6-pentyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene
OPENEYE Name: 3-(1,5-dimethylhexyl)-3a,6-dimethyl-6-pentyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene
IUPAC Name: 3a,6-dimethyl-3-(6-methylheptan-2-yl)-6-pentyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene
SYSTEMATIC NAME: 3a,6-dimethyl-3-(6-methylheptan-2-yl)-6-pentyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene
MOLECULAR FORMULA: C28H52
MOLECULAR WEIGHT: 388.71248
SMILES: CCCCCC1(CCCC2C1CCC3(C2CCC3C(C)CCCC(C)C)C)C
Structure:
CAS RN: 140163-68-4
CAS Name: 3-(2,4-dichloro-6-iodanylphenoxy)-N-methyl-N-prop-2-ynyl-1-propanamine
OPENEYE Name: 3-(2,4-dichloro-6-iodanyl-phenoxy)-N-methyl-N-prop-2-ynyl-propan-1-amine
IUPAC Name: 3-(2,4-dichloro-6-iodanylphenoxy)-N-methyl-N-prop-2-ynylpropan-1-amine
SYSTEMATIC NAME: 3-[2,4-bis(chloranyl)-6-iodanyl-phenoxy]-N-methyl-N-prop-2-ynyl-propan-1-amine
MOLECULAR FORMULA: C13H14Cl2INO
MOLECULAR WEIGHT: 396.066984
SMILES: CN(CCCOC1=C(C=C(C=C1[125I])Cl)Cl)CC#C
Structure:
CAS RN: 140163-23-1
CAS Name: acetic acid [(1R,4bR,5R,6aR,10aR,10bR,12aR)-1-(3-furanyl)-1-(2-hydroxyethoxy)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,10b,11,12-hexahydronaphtho[2,1-f][2]benzopyran-5-yl] ester
OPENEYE Name: [(1R,4bR,5R,6aR,10aR,10bR,12aR)-1-(3-furyl)-1-(2-hydroxyethoxy)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,10b,11,12-hexahydronaphtho[2,1-f]isochromen-5-yl] acetate
IUPAC Name: [(1R,4bR,5R,6aR,10aR,10bR,12aR)-1-(furan-3-yl)-1-(2-hydroxyethoxy)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,10b,11,12-hexahydronaphtho[2,1-f]isochromen-5-yl] acetate
SYSTEMATIC NAME: [(1R,4bR,5R,6aR,10aR,10bR,12aR)-1-(furan-3-yl)-1-(2-hydroxyethyloxy)-4b,7,7,10a,12a-pentamethyl-3,8-bis(oxidanylidene)-5,6,6a,10b,11,12-hexahydronaphtho[2,1-f]isochromen-5-yl] ethanoate
MOLECULAR FORMULA: C30H38O8
MOLECULAR WEIGHT: 526.61792
SMILES: CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3[C@@]1(C4=CC(=O)O[C@]([C@@]4(CC3)C)(C5=COC=C5)OCCO)C)C
Structure:
CAS RN: 111358-88-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H21N3O4
MOLECULAR WEIGHT: 439.46264
SMILES: C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O
Structure:
CAS RN: 156256-78-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H21N3O4
MOLECULAR WEIGHT: 439.46264
SMILES: C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O
Structure:
CAS RN: 139978-92-0
CAS Name: (2R,3S,4S,5S,6R)-2-[[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-3-oxanyl]oxy]-6-(2-hydroxyethyl)oxane-3,4,5-triol
OPENEYE Name: (2R,3S,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-6-(2-hydroxyethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3S,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(2-hydroxyethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5S,6R)-2-(2-hydroxyethyl)-6-[(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C14H26O11
MOLECULAR WEIGHT: 370.34964
SMILES: CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CCO)O)O)O)O)O
Structure:
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