CAS RN: 55557-30-7
CAS Name: 2-naphthalenesulfonic acid; propanoic acid [(2R,3S)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] ester; hydrate
OPENEYE Name: [(1R,2S)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] propanoate; naphthalene-2-sulfonic acid; hydrate
IUPAC Name: [(2R,3S)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate; naphthalene-2-sulfonic acid; hydrate
SYSTEMATIC NAME: [(2R,3S)-4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate; naphthalene-2-sulfonic acid; hydrate
MOLECULAR FORMULA: C32H39NO6S
MOLECULAR WEIGHT: 565.72016
SMILES: CCC(=O)O[C@@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@@H](C)CN(C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O.O
Structure:
CAS RN: 5667-69-6
CAS Name: 2-naphthalenesulfonic acid; propanoic acid [(2R,3S)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] ester; hydrate
OPENEYE Name: [(1R,2S)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] propanoate; naphthalene-2-sulfonic acid; hydrate
IUPAC Name: [(2R,3S)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate; naphthalene-2-sulfonic acid; hydrate
SYSTEMATIC NAME: [(2R,3S)-4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate; naphthalene-2-sulfonic acid; hydrate
MOLECULAR FORMULA: C32H39NO6S
MOLECULAR WEIGHT: 565.72016
SMILES: CCC(=O)O[C@@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@@H](C)CN(C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O.O
Structure:
CAS RN: 7247-77-0
CAS Name: 2-naphthalenesulfonic acid; propanoic acid [(2R,3S)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] ester; hydrate
OPENEYE Name: [(1R,2S)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] propanoate; naphthalene-2-sulfonic acid; hydrate
IUPAC Name: [(2R,3S)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate; naphthalene-2-sulfonic acid; hydrate
SYSTEMATIC NAME: [(2R,3S)-4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate; naphthalene-2-sulfonic acid; hydrate
MOLECULAR FORMULA: C32H39NO6S
MOLECULAR WEIGHT: 565.72016
SMILES: CCC(=O)O[C@@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@@H](C)CN(C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O.O
Structure:
CAS RN: 8063-06-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H42Cl2N2O6
MOLECULAR WEIGHT: 681.64518
SMILES: CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC.Cl.[Cl-]
Structure:
CAS RN: 14999-04-3
CAS Name: aluminum-28
OPENEYE Name: aluminum-28
IUPAC Name: aluminum-28
SYSTEMATIC NAME: aluminum-28
MOLECULAR FORMULA: Al
MOLECULAR WEIGHT: 27.98191
SMILES: [28Al]
Structure:
CAS RN: 15753-06-7
CAS Name: sulfane
OPENEYE Name: sulfane
IUPAC Name: sulfane
SYSTEMATIC NAME: sulfane
MOLECULAR FORMULA: H2S
MOLECULAR WEIGHT: 38.987006
SMILES: [37SH2]
Structure:
CAS RN: 7238-04-2
CAS Name: benzeneselenol; $l^{1}-selanylbenzene; $l^{1}-tellane; mercury; phenyl(dipropyl)phosphonium
OPENEYE Name: benzeneselenol; $l^{1}-selanylbenzene; $l^{1}-tellane; mercury; phenyl(dipropyl)phosphonium
IUPAC Name: benzeneselenol; $l^{1}-selanylbenzene; $l^{1}-tellane; mercury; phenyl(dipropyl)phosphanium
SYSTEMATIC NAME: benzeneselenol; $l^{1}-selanylbenzene; $l^{1}-tellane; mercury; phenyl(dipropyl)phosphanium
MOLECULAR FORMULA: C264H300Hg34P4Se36Te16+4
MOLECULAR WEIGHT: 15301.321844
SMILES: CCC[PH+](CCC)C1=CC=CC=C1.CCC[PH+](CCC)C1=CC=CC=C1.CCC[PH+](CCC)C1=CC=CC=C1.CCC[PH+](CCC)C1=CC=CC=C1.C1=CC=C(C=C1)[SeH].C1=CC=C(C=C1)[SeH].C1=CC=C(C=C1)[SeH].C1=CC=C(C=C1)[SeH].C1=CC=C(C=C1)[SeH].C1=CC=C(C=C1)[SeH].C1=CC=C(C=C1)[SeH].C1=CC=C(C=C1)[SeH].C1=
Structure:
CAS RN: 1216420-11-9
CAS Name: 2-[[4-(3-ethynylanilino)-6-(2-methoxyethoxy)-7-quinazolinyl]oxy]ethanol
OPENEYE Name: 2-[4-(3-ethynylanilino)-6-(2-methoxyethoxy)quinazolin-7-yl]oxyethanol
IUPAC Name: 2-[4-(3-ethynylanilino)-6-(2-methoxyethoxy)quinazolin-7-yl]oxyethanol
SYSTEMATIC NAME: 2-[4-[(3-ethynylphenyl)amino]-6-(2-methoxyethoxy)quinazolin-7-yl]oxyethanol
MOLECULAR FORMULA: C21H21N3O4
MOLECULAR WEIGHT: 379.40914
SMILES: COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCO
Structure:
CAS RN: 183321-86-0
CAS Name: 2-[[4-(3-ethynylanilino)-6-(2-methoxyethoxy)-7-quinazolinyl]oxy]ethanol
OPENEYE Name: 2-[4-(3-ethynylanilino)-6-(2-methoxyethoxy)quinazolin-7-yl]oxyethanol
IUPAC Name: 2-[4-(3-ethynylanilino)-6-(2-methoxyethoxy)quinazolin-7-yl]oxyethanol
SYSTEMATIC NAME: 2-[4-[(3-ethynylphenyl)amino]-6-(2-methoxyethoxy)quinazolin-7-yl]oxyethanol
MOLECULAR FORMULA: C21H21N3O4
MOLECULAR WEIGHT: 379.40914
SMILES: COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCO
Structure:
CAS RN: 183321-84-8
CAS Name: 2-[[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)-6-quinazolinyl]oxy]ethanol
OPENEYE Name: 2-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol
IUPAC Name: 2-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol
SYSTEMATIC NAME: 2-[4-[(3-ethynylphenyl)amino]-7-(2-hydroxyethyloxy)quinazolin-6-yl]oxyethanol
MOLECULAR FORMULA: C20H19N3O4
MOLECULAR WEIGHT: 365.38256
SMILES: C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)OCCO)OCCO
Structure:
CAS RN: 170368-41-9
CAS Name: 5-amino-N,2-dihydroxybenzamide
OPENEYE Name: 5-amino-2-hydroxy-benzenecarbohydroxamic acid
IUPAC Name: 5-amino-N,2-dihydroxybenzamide
SYSTEMATIC NAME: 5-azanyl-N,2-bis(oxidanyl)benzamide
MOLECULAR FORMULA: C7H8N2O3
MOLECULAR WEIGHT: 168.15002
SMILES: C1=CC(=C(C=C1N)C(=O)NO)O
Structure:
CAS RN: 175422-04-5
CAS Name: 2,6-dibromo-4-nitropyridine
OPENEYE Name: 2,6-dibromo-4-nitro-pyridine
IUPAC Name: 2,6-dibromo-4-nitropyridine
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-nitro-pyridine
MOLECULAR FORMULA: C5H2Br2N2O2
MOLECULAR WEIGHT: 281.88958
SMILES: C1=C(C=C(N=C1Br)Br)[N+](=O)[O-]
Structure:
CAS RN: 923977-18-8
CAS Name: 5,7-dibromo-2,3-dihydroinden-1-one
OPENEYE Name: 5,7-dibromoindan-1-one
IUPAC Name: 5,7-dibromo-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 5,7-bis(bromanyl)-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C9H6Br2O
MOLECULAR WEIGHT: 289.95134
SMILES: C1CC(=O)C2=C(C=C(C=C21)Br)Br
Structure:
CAS RN: 43113-94-6
CAS Name: 1-(3-methoxy-5-methylphenyl)ethanone
OPENEYE Name: 1-(3-methoxy-5-methyl-phenyl)ethanone
IUPAC Name: 1-(3-methoxy-5-methylphenyl)ethanone
SYSTEMATIC NAME: 1-(3-methoxy-5-methyl-phenyl)ethanone
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: CC1=CC(=CC(=C1)C(=O)C)OC
Structure:
CAS RN: 923929-10-6
CAS Name: N-(5-bromo-4-methyl-2-pyridinyl)nitramide
OPENEYE Name: N-(5-bromo-4-methyl-2-pyridyl)nitramide
IUPAC Name: N-(5-bromo-4-methylpyridin-2-yl)nitramide
SYSTEMATIC NAME: N-(5-bromanyl-4-methyl-pyridin-2-yl)nitramide
MOLECULAR FORMULA: C6H6BrN3O2
MOLECULAR WEIGHT: 232.03474
SMILES: CC1=CC(=NC=C1Br)N[N+](=O)[O-]
Structure:
CAS RN: 874819-74-6
CAS Name: 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-(1-pyrrolidinyl)ethyl]-1H-pyrrole-3-carboxamide; phosphoric acid
OPENEYE Name: 5-[(Z)-(5-fluoro-2-oxo-indolin-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide; phosphoric acid
IUPAC Name: 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide; phosphoric acid
SYSTEMATIC NAME: 5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide; phosphoric acid
MOLECULAR FORMULA: C22H28FN4O6P
MOLECULAR WEIGHT: 494.453084
SMILES: CC1=C(NC(=C1C(=O)NCCN2CCCC2)C)/C=C\3/C4=C(C=CC(=C4)F)NC3=O.OP(=O)(O)O
Structure:
CAS RN: 14280-48-9
CAS Name: thallium-203
OPENEYE Name: thallium-203
IUPAC Name: thallium-203
SYSTEMATIC NAME: thallium-203
MOLECULAR FORMULA: Tl
MOLECULAR WEIGHT: 202.972329
SMILES: [203Tl]
Structure:
CAS RN: 14280-49-0
CAS Name: thallium-205
OPENEYE Name: thallium-205
IUPAC Name: thallium-205
SYSTEMATIC NAME: thallium-205
MOLECULAR FORMULA: Tl
MOLECULAR WEIGHT: 204.974412
SMILES: [205Tl]
Structure:
CAS RN: 866021-48-9
CAS Name: acetic acid; (6R,7R)-7-[[(2Z)-2-ethoxyimino-1-oxo-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]ethyl]amino]-3-[[4-(1-methyl-4-pyridin-1-iumyl)-2-thiazolyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrate
OPENEYE Name: acetic acid; (6R,7R)-7-[[(2Z)-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-3-[4-(1-methylpyridin-1-ium-4-yl)thiazol-2-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrate
IUPAC Name: acetic acid; (6R,7R)-7-[[(2Z)-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrate
SYSTEMATIC NAME: ethanoic acid; (6R,7R)-7-[[(2Z)-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]ethanoyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrate
MOLECULAR FORMULA: C24H27N8O11PS4
MOLECULAR WEIGHT: 762.751941
SMILES: CCO/N=C(/C1=NSC(=N1)NP(=O)(O)O)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)SC4=NC(=CS4)C5=CC=[N+](C=C5)C)C(=O)[O-].CC(=O)O.O
Structure:
CAS RN: 3958-15-4
CAS Name: (2R)-2-amino-3-[(3-amino-3-oxopropyl)thio]propanoic acid
OPENEYE Name: (2R)-2-amino-3-(3-amino-3-oxo-propyl)sulfanyl-propanoic acid
IUPAC Name: (2R)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-propanoic acid
MOLECULAR FORMULA: C6H12N2O3S
MOLECULAR WEIGHT: 192.23608
SMILES: C(CSC[C@@H](C(=O)O)N)C(=O)N
Structure:
CAS RN: 219803-57-3
CAS Name: (2S)-2-amino-3-buten-1-ol hydrochloride
OPENEYE Name: (2S)-2-aminobut-3-en-1-ol hydrochloride
IUPAC Name: (2S)-2-aminobut-3-en-1-ol hydrochloride
SYSTEMATIC NAME: (2S)-2-azanylbut-3-en-1-ol hydrochloride
MOLECULAR FORMULA: C4H10ClNO
MOLECULAR WEIGHT: 123.5813
SMILES: C=C[C@@H](CO)N.Cl
Structure:
CAS RN: 120511-72-0
CAS Name: 2-[3-(2-cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrile
OPENEYE Name: 2-[3-(1-cyano-1-methyl-ethyl)-5-methyl-phenyl]-2-methyl-propanenitrile
IUPAC Name: 2-[3-(2-cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrile
SYSTEMATIC NAME: 2-[3-(2-cyanopropan-2-yl)-5-methyl-phenyl]-2-methyl-propanenitrile
MOLECULAR FORMULA: C15H18N2
MOLECULAR WEIGHT: 226.31682
SMILES: CC1=CC(=CC(=C1)C(C)(C)C#N)C(C)(C)C#N
Structure:
CAS RN: 107898-54-4
CAS Name: (E)-3,3-dimethyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)-4-penten-2-ol
OPENEYE Name: (E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol
IUPAC Name: (E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol
SYSTEMATIC NAME: (E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol
MOLECULAR FORMULA: C15H26O
MOLECULAR WEIGHT: 222.36634
SMILES: CC1=CCC(C1(C)C)/C=C/C(C)(C)C(C)O
Structure:
CAS RN: 153859-33-7
CAS Name: (E)-3,3-dimethyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)-4-penten-2-ol
OPENEYE Name: (E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol
IUPAC Name: (E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol
SYSTEMATIC NAME: (E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol
MOLECULAR FORMULA: C15H26O
MOLECULAR WEIGHT: 222.36634
SMILES: CC1=CCC(C1(C)C)/C=C/C(C)(C)C(C)O
Structure:
CAS RN: 13058-04-3
CAS Name: [oxido-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl] phosphate
OPENEYE Name: [oxido-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl] phosphate
IUPAC Name: [oxido-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl] phosphate
SYSTEMATIC NAME: [oxidanidyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl] phosphate
MOLECULAR FORMULA: C15H25O7P2-3
MOLECULAR WEIGHT: 379.302322
SMILES: CC(=CCC/C(=C/CC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)C
Structure:
CAS RN: 2646-71-1
CAS Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl] phosphate
OPENEYE Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] phosphate
IUPAC Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate
SYSTEMATIC NAME: [(2R,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxymethyl]-2-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-3-yl] phosphate
MOLECULAR FORMULA: C21H26N7O17P3-4
MOLECULAR WEIGHT: 741.389123
SMILES: C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)OP(=O)([O-])[O-])O)O)O
Structure:
CAS RN: 66486-85-9
CAS Name: docosanoic acid [3-(2-ethylhexoxy)-2-hydroxypropyl] ester
OPENEYE Name: [3-(2-ethylhexoxy)-2-hydroxy-propyl] docosanoate
IUPAC Name: [3-(2-ethylhexoxy)-2-hydroxypropyl] docosanoate
SYSTEMATIC NAME: [3-(2-ethylhexoxy)-2-oxidanyl-propyl] docosanoate
MOLECULAR FORMULA: C33H66O4
MOLECULAR WEIGHT: 526.87474
SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCC(CC)CCCC)O
Structure:
CAS RN: 811471-91-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H37N9O8S
MOLECULAR WEIGHT: 719.76738
SMILES: CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4.CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO.C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N
Structure:
CAS RN: 14220-26-9
CAS Name: copper; pentane-2,4-dione
OPENEYE Name: copper; pentane-2,4-dione
IUPAC Name: copper; pentane-2,4-dione
SYSTEMATIC NAME: copper; pentane-2,4-dione
MOLECULAR FORMULA: C5H8CuO2
MOLECULAR WEIGHT: 163.66182
SMILES: CC(=O)CC(=O)C.[Cu]
Structure:
CAS RN: 148149-82-0
CAS Name: (1R,4Z,8Z,12R,13R)-12-hydroxy-4,8,12-trimethyl-16-methylene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one
OPENEYE Name: (1R,4Z,8Z,12R,13R)-12-hydroxy-4,8,12-trimethyl-16-methylene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one
IUPAC Name: (1R,4Z,8Z,12R,13R)-12-hydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one
SYSTEMATIC NAME: (1R,4Z,8Z,12R,13R)-4,8,12-trimethyl-16-methylidene-12-oxidanyl-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one
MOLECULAR FORMULA: C20H30O3
MOLECULAR WEIGHT: 318.4504
SMILES: C/C/1=C/CC[C@@]([C@H]2C[C@@H](CC/C(=C\CC1)/C)C(=C)C(=O)O2)(C)O
Structure:
CAS RN: 20611-81-8
CAS Name: disodium azanidylidenemethylideneazanide
OPENEYE Name: disodium azanidylidenemethyleneazanide
IUPAC Name: disodium azanidylidenemethylideneazanide
SYSTEMATIC NAME: disodium azanidylidenemethylideneazanide
MOLECULAR FORMULA: CN2Na2
MOLECULAR WEIGHT: 86.00364
SMILES: C(=[N-])=[N-].[Na+].[Na+]
Structure:
CAS RN: 73968-62-4
CAS Name: (2S)-2-[(triphenylmethyl)oxymethyl]-2,3-dihydrofuran-5-ol
OPENEYE Name: (2S)-2-(trityloxymethyl)-2,3-dihydrofuran-5-ol
IUPAC Name: (2S)-2-(trityloxymethyl)-2,3-dihydrofuran-5-ol
SYSTEMATIC NAME: (2S)-2-[(triphenylmethyl)oxymethyl]-2,3-dihydrofuran-5-ol
MOLECULAR FORMULA: C24H22O3
MOLECULAR WEIGHT: 358.42968
SMILES: C1C=C(O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O
Structure:
CAS RN: 304854-55-5
CAS Name: 3-bromo-5-chlorobenzonitrile
OPENEYE Name: 3-bromo-5-chloro-benzonitrile
IUPAC Name: 3-bromo-5-chlorobenzonitrile
SYSTEMATIC NAME: 3-bromanyl-5-chloranyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H3BrClN
MOLECULAR WEIGHT: 216.46242
SMILES: C1=C(C=C(C=C1Cl)Br)C#N
Structure:
CAS RN: 22255-40-9
CAS Name: (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
OPENEYE Name: (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
IUPAC Name: (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
SYSTEMATIC NAME: (1S,4aS,6S,7R,7aS)-1-[(2S,5S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-6-oxidanyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
MOLECULAR FORMULA: C16H24O10
MOLECULAR WEIGHT: 376.35576
SMILES: C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3C(C([C@@H](C(O3)CO)O)O)O)O
Structure:
CAS RN: 103922-42-5
CAS Name: N3-[(Z)-4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]but-2-enyl]-N4-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine
OPENEYE Name: N3-[(Z)-4-[[4-[(dimethylamino)methyl]-2-pyridyl]oxy]but-2-enyl]-N4-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine
IUPAC Name: 3-N-[(Z)-4-[4-[(dimethylamino)methyl]pyridin-2-yl]oxybut-2-enyl]-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine
SYSTEMATIC NAME: N3-[(Z)-4-[4-[(dimethylamino)methyl]pyridin-2-yl]oxybut-2-enyl]-N4-methyl-1-oxidanylidene-1,2,5-thiadiazole-3,4-diamine
MOLECULAR FORMULA: C15H22N6O2S
MOLECULAR WEIGHT: 350.43918
SMILES: CNC1=NS(=O)N=C1NC/C=C\COC2=NC=CC(=C2)CN(C)C
Structure:
CAS RN: 103922-41-4
CAS Name: N3-[(Z)-4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]but-2-enyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine
OPENEYE Name: N3-[(Z)-4-[[4-[(dimethylamino)methyl]-2-pyridyl]oxy]but-2-enyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine
IUPAC Name: 3-N-[(Z)-4-[4-[(dimethylamino)methyl]pyridin-2-yl]oxybut-2-enyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine
SYSTEMATIC NAME: N3-[(Z)-4-[4-[(dimethylamino)methyl]pyridin-2-yl]oxybut-2-enyl]-1-oxidanylidene-1,2,5-thiadiazole-3,4-diamine
MOLECULAR FORMULA: C14H20N6O2S
MOLECULAR WEIGHT: 336.4126
SMILES: CN(C)CC1=CC(=NC=C1)OC/C=C\CNC2=NS(=O)N=C2N
Structure:
CAS RN: 103922-40-3
CAS Name: 1-oxo-N3-[(E)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]-1,2,5-thiadiazole-3,4-diamine
OPENEYE Name: 1-oxo-N3-[(E)-4-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]but-2-enyl]-1,2,5-thiadiazole-3,4-diamine
IUPAC Name: 1-oxo-3-N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]-1,2,5-thiadiazole-3,4-diamine
SYSTEMATIC NAME: 1-oxidanylidene-N3-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]-1,2,5-thiadiazole-3,4-diamine
MOLECULAR FORMULA: C17H24N6O2S
MOLECULAR WEIGHT: 376.47646
SMILES: C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C/CNC3=NS(=O)N=C3N
Structure:
CAS RN: 78467-80-8
CAS Name: 2-[4-[[2-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]ethylthio]methyl]-2-thiazolyl]guanidine hydrochloride
OPENEYE Name: 2-[4-[2-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]ethylsulfanylmethyl]thiazol-2-yl]guanidine hydrochloride
IUPAC Name: 2-[4-[2-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]ethylsulfanylmethyl]-1,3-thiazol-2-yl]guanidine hydrochloride
SYSTEMATIC NAME: 2-[4-[2-[(4-azanyl-1-oxidanylidene-1,2,5-thiadiazol-3-yl)amino]ethylsulfanylmethyl]-1,3-thiazol-2-yl]guanidine hydrochloride
MOLECULAR FORMULA: C9H15ClN8OS3
MOLECULAR WEIGHT: 382.9164
SMILES: C1=C(N=C(S1)N=C(N)N)CSCCNC2=NS(=O)N=C2N.Cl
Structure:
CAS RN: 65689-56-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H10O3S2
MOLECULAR WEIGHT: 362.4216
SMILES: C1=CC=C2C(=C1)C3=C(O2)C4=C(C5=CS(=O)C=C53)S(=O)C6=CC=CC=C64
Structure:
CAS RN: 13925-11-6
CAS Name: 1,6-dimethoxy-10-oxidophenazin-5-ium 5-oxide
OPENEYE Name: 1,6-dimethoxy-10-oxido-phenazin-5-ium 5-oxide
IUPAC Name: 1,6-dimethoxy-10-oxidophenazin-5-ium 5-oxide
SYSTEMATIC NAME: 1,6-dimethoxy-10-oxidanidyl-phenazin-5-ium 5-oxide
MOLECULAR FORMULA: C14H12N2O4
MOLECULAR WEIGHT: 272.25608
SMILES: COC1=CC=CC2=C1N(C3=C([N+]2=O)C(=CC=C3)OC)[O-]
Structure:
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