CAS RN: 152305-87-8
CAS Name: 1-acetyloxy-2,5-dioxo-3-pyrrolidinesulfonic acid
OPENEYE Name: 1-acetoxy-2,5-dioxo-pyrrolidine-3-sulfonic acid
IUPAC Name: 1-acetyloxy-2,5-dioxopyrrolidine-3-sulfonic acid
SYSTEMATIC NAME: 1-acetyloxy-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid
MOLECULAR FORMULA: C6H7NO7S
MOLECULAR WEIGHT: 237.18728
SMILES: CC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O
Structure:
CAS RN: 152302-33-5
CAS Name: N-[2-(1-naphthalenyl)ethyl]cyclobutanecarboxamide
OPENEYE Name: N-[2-(1-naphthyl)ethyl]cyclobutanecarboxamide
IUPAC Name: N-(2-naphthalen-1-ylethyl)cyclobutanecarboxamide
SYSTEMATIC NAME: N-(2-naphthalen-1-ylethyl)cyclobutanecarboxamide
MOLECULAR FORMULA: C17H19NO
MOLECULAR WEIGHT: 253.33886
SMILES: C1CC(C1)C(=O)NCCC2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 152247-02-4
CAS Name: 1-cyclopropyl-6-fluoro-7-(3-methoxyphenyl)-4-oxo-3-quinolinecarboxylic acid
OPENEYE Name: 1-cyclopropyl-6-fluoro-7-(3-methoxyphenyl)-4-oxo-quinoline-3-carboxylic acid
IUPAC Name: 1-cyclopropyl-6-fluoro-7-(3-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-cyclopropyl-6-fluoranyl-7-(3-methoxyphenyl)-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C20H16FNO4
MOLECULAR WEIGHT: 353.343743
SMILES: COC1=CC=CC(=C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F
Structure:
CAS RN: 105217-43-4
CAS Name: (2S)-2-acetamido-N-[2-(methylamino)-1-oxoethyl]butanediamide
OPENEYE Name: (2S)-2-acetamido-N-[2-(methylamino)acetyl]butanediamide
IUPAC Name: (2S)-2-acetamido-N-[2-(methylamino)acetyl]butanediamide
SYSTEMATIC NAME: (2S)-2-acetamido-N-[2-(methylamino)ethanoyl]butanediamide
MOLECULAR FORMULA: C9H16N4O4
MOLECULAR WEIGHT: 244.24774
SMILES: CC(=O)N[C@@H](CC(=O)N)C(=O)NC(=O)CNC
Structure:
CAS RN: 678-65-9
CAS Name: 2-[(8R,9S,10R,13S,14S,15R,17S)-17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-15-yl]acetic acid
OPENEYE Name: 2-[(8R,9S,10R,13S,14S,15R,17S)-17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-15-yl]acetic acid
IUPAC Name: 2-[(8R,9S,10R,13S,14S,15R,17S)-17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-15-yl]acetic acid
SYSTEMATIC NAME: 2-[(8R,9S,10R,13S,14S,15R,17S)-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-15-yl]ethanoic acid
MOLECULAR FORMULA: C21H30O4
MOLECULAR WEIGHT: 346.4605
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@H](C[C@@H]4O)CC(=O)O)C
Structure:
CAS RN: 65383-73-5
CAS Name: 7-ethoxy-6-methoxy-2,2-dimethyl-1-benzopyran
OPENEYE Name: 7-ethoxy-6-methoxy-2,2-dimethyl-chromene
IUPAC Name: 7-ethoxy-6-methoxy-2,2-dimethylchromene
SYSTEMATIC NAME: 7-ethoxy-6-methoxy-2,2-dimethyl-chromene
MOLECULAR FORMULA: C14H18O3
MOLECULAR WEIGHT: 234.29092
SMILES: CCOC1=C(C=C2C=CC(OC2=C1)(C)C)OC
Structure:
CAS RN: 64918-85-0
CAS Name: (2S,3R)-2-amino-3-hydroxy-4-pentynoic acid
OPENEYE Name: (2S,3R)-2-amino-3-hydroxy-pent-4-ynoic acid
IUPAC Name: (2S,3R)-2-amino-3-hydroxypent-4-ynoic acid
SYSTEMATIC NAME: (2S,3R)-2-azanyl-3-oxidanyl-pent-4-ynoic acid
MOLECULAR FORMULA: C5H7NO3
MOLECULAR WEIGHT: 129.11398
SMILES: C#C[C@H]([C@@H](C(=O)O)N)O
Structure:
CAS RN: 65162-13-2
CAS Name: 1-methoxy-5-methylphenazin-5-ium; methyl sulfate
OPENEYE Name: 1-methoxy-5-methyl-phenazin-5-ium; methyl sulfate
IUPAC Name: 1-methoxy-5-methylphenazin-5-ium; methyl sulfate
SYSTEMATIC NAME: 1-methoxy-5-methyl-phenazin-5-ium; methyl sulfate
MOLECULAR FORMULA: C15H16N2O5S
MOLECULAR WEIGHT: 336.36294
SMILES: C[N+]1=C2C=CC=C(C2=NC3=CC=CC=C31)OC.COS(=O)(=O)[O-]
Structure:
CAS RN: 6681-14-7
CAS Name: (2R,3R,10S,12S,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol
OPENEYE Name: (2R,3R,10S,12S,13R,14S,17R)-17-[(1R,4R)-4,5-dihydroxy-1,5-dimethyl-hexyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol
IUPAC Name: (2R,3R,10S,12S,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol
SYSTEMATIC NAME: (2R,3R,10S,12S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5R)-6-methyl-5,6-bis(oxidanyl)heptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol
MOLECULAR FORMULA: C30H52O5
MOLECULAR WEIGHT: 492.73088
SMILES: C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1([C@H](CC3=C2CCC4[C@@]3(C[C@H]([C@@H](C4(C)C)O)O)C)O)C)C
Structure:
CAS RN: 66800-35-9
CAS Name: 1-[(1R,6R)-4,4-dimethyl-6-(phenylmethyl)-1-cyclohex-2-enyl]-N,N-dimethylmethanamine hydrochloride
OPENEYE Name: 1-[(1R,6R)-6-benzyl-4,4-dimethyl-cyclohex-2-en-1-yl]-N,N-dimethyl-methanamine hydrochloride
IUPAC Name: 1-[(1R,6R)-6-benzyl-4,4-dimethylcyclohex-2-en-1-yl]-N,N-dimethylmethanamine hydrochloride
SYSTEMATIC NAME: 1-[(1R,6R)-4,4-dimethyl-6-(phenylmethyl)cyclohex-2-en-1-yl]-N,N-dimethyl-methanamine hydrochloride
MOLECULAR FORMULA: C18H28ClN
MOLECULAR WEIGHT: 293.87462
SMILES: CC1(C[C@@H]([C@H](C=C1)CN(C)C)CC2=CC=CC=C2)C.Cl
Structure:
CAS RN: 152218-61-6
CAS Name: 4-(3-phosphonooxypropyl)-2-piperazinecarboxylic acid
OPENEYE Name: 4-(3-phosphonooxypropyl)piperazine-2-carboxylic acid
IUPAC Name: 4-(3-phosphonooxypropyl)piperazine-2-carboxylic acid
SYSTEMATIC NAME: 4-(3-phosphonooxypropyl)piperazine-2-carboxylic acid
MOLECULAR FORMULA: C8H17N2O6P
MOLECULAR WEIGHT: 268.204141
SMILES: C1CN(CC(N1)C(=O)O)CCCOP(=O)(O)O
Structure:
CAS RN: 151921-86-7
CAS Name: N,N-dimethyl-4-[6-methyl-2-(4-methylphenyl)-3-pyryliumyl]aniline iodide
OPENEYE Name: N,N-dimethyl-4-[6-methyl-2-(p-tolyl)pyrylium-3-yl]aniline iodide
IUPAC Name: N,N-dimethyl-4-[6-methyl-2-(4-methylphenyl)pyrylium-3-yl]aniline iodide
SYSTEMATIC NAME: N,N-dimethyl-4-[6-methyl-2-(4-methylphenyl)pyrylium-3-yl]aniline iodide
MOLECULAR FORMULA: C21H22INO
MOLECULAR WEIGHT: 431.30995
SMILES: CC1=CC=C(C=C1)C2=C(C=CC(=[O+]2)C)C3=CC=C(C=C3)N(C)C.[I-]
Structure:
CAS RN: 101410-16-6
CAS Name: (4S,5S,6S,7S,8S)-5-acetamido-7-formamido-4,6,8-trihydroxy-2-oxononanoic acid
OPENEYE Name: (4S,5S,6S,7S,8S)-5-acetamido-7-formamido-4,6,8-trihydroxy-2-oxo-nonanoic acid
IUPAC Name: (4S,5S,6S,7S,8S)-5-acetamido-7-formamido-4,6,8-trihydroxy-2-oxononanoic acid
SYSTEMATIC NAME: (4S,5S,6S,7S,8S)-5-acetamido-7-formamido-4,6,8-tris(oxidanyl)-2-oxidanylidene-nonanoic acid
MOLECULAR FORMULA: C12H20N2O8
MOLECULAR WEIGHT: 320.2958
SMILES: C[C@@H]([C@@H]([C@@H]([C@H]([C@H](CC(=O)C(=O)O)O)NC(=O)C)O)NC=O)O
Structure:
CAS RN: 151915-04-7
CAS Name: N'-[3-[3-(cyclopropylmethylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine tetrahydrobromide
OPENEYE Name: N'-[3-[3-(cyclopropylmethylamino)propylamino]propyl]-N-ethyl-propane-1,3-diamine tetrahydrobromide
IUPAC Name: N'-[3-[3-(cyclopropylmethylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine tetrahydrobromide
SYSTEMATIC NAME: N'-[3-[3-(cyclopropylmethylamino)propylamino]propyl]-N-ethyl-propane-1,3-diamine tetrahydrobromide
MOLECULAR FORMULA: C15H38Br4N4
MOLECULAR WEIGHT: 594.10502
SMILES: CCNCCCNCCCNCCCNCC1CC1.Br.Br.Br.Br
Structure:
CAS RN: 101409-94-3
CAS Name: (5R,8R,9S,10R,13S,14S,17R)-17-ethynyl-5,17-dihydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (5R,8R,9S,10R,13S,14S,17R)-17-ethynyl-5,17-dihydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (5R,8R,9S,10R,13S,14S,17R)-17-ethynyl-5,17-dihydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (5R,8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-5,17-bis(oxidanyl)-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC[C@@]4([C@@H]3CCC(=O)C4)O
Structure:
CAS RN: 151856-47-2
CAS Name: 2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridazinyl]thio]-2-butanol
OPENEYE Name: 2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)-3-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]sulfanyl-butan-2-ol
IUPAC Name: 2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)-3-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]sulfanylbutan-2-ol
SYSTEMATIC NAME: 2-[2,4-bis(fluoranyl)phenyl]-3-methyl-1-(1,2,4-triazol-1-yl)-3-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]sulfanyl-butan-2-ol
MOLECULAR FORMULA: C19H18F2N8OS
MOLECULAR WEIGHT: 444.461026
SMILES: CC(C)(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)SC3=NN=C(C=C3)N4C=NC=N4
Structure:
CAS RN: 101395-77-1
CAS Name: 4,6-bis(1-aziridinyl)-N2,N2',N4,N6-tetramethyl-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene-2,2,4,6-tetramine
OPENEYE Name: 4,6-bis(aziridin-1-yl)-N2,N2',N4,N6-tetramethyl-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene-2,2,4,6-tetramine
IUPAC Name: 4,6-bis(aziridin-1-yl)-2-N,2-N',4-N,6-N-tetramethyl-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene-2,2,4,6-tetramine
SYSTEMATIC NAME: 4,6-bis(aziridin-1-yl)-N2,N2',N4,N6-tetramethyl-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene-2,2,4,6-tetramine
MOLECULAR FORMULA: C8H24N9P3
MOLECULAR WEIGHT: 339.257743
SMILES: CNP1(=NP(=NP(=N1)(NC)N2CC2)(NC)N3CC3)NC
Structure:
CAS RN: 151589-38-7
CAS Name: 4-(4,5-diphenyl-1H-imidazol-2-yl)benzohydrazide
OPENEYE Name: 4-(4,5-diphenyl-1H-imidazol-2-yl)benzohydrazide
IUPAC Name: 4-(4,5-diphenyl-1H-imidazol-2-yl)benzohydrazide
SYSTEMATIC NAME: 4-(4,5-diphenyl-1H-imidazol-2-yl)benzohydrazide
MOLECULAR FORMULA: C22H18N4O
MOLECULAR WEIGHT: 354.40452
SMILES: C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)C(=O)NN)C4=CC=CC=C4
Structure:
CAS RN: 101395-33-9
CAS Name: 3-(4-hydroxy-3-iodanylphenyl)-N-[5-[2-[(4-methoxyphenyl)methyl-(2-pyridinyl)amino]ethyl-methylamino]pentyl]propanamide
OPENEYE Name: 3-(4-hydroxy-3-iodanyl-phenyl)-N-[5-[2-[(4-methoxyphenyl)methyl-(2-pyridyl)amino]ethyl-methyl-amino]pentyl]propanamide
IUPAC Name: 3-(4-hydroxy-3-iodanylphenyl)-N-[5-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]pentyl]propanamide
SYSTEMATIC NAME: 3-(3-iodanyl-4-oxidanyl-phenyl)-N-[5-[2-[(4-methoxyphenyl)methyl-pyridin-2-yl-amino]ethyl-methyl-amino]pentyl]propanamide
MOLECULAR FORMULA: C30H39IN4O3
MOLECULAR WEIGHT: 628.560284
SMILES: CN(CCCCCNC(=O)CCC1=CC(=C(C=C1)O)[125I])CCN(CC2=CC=C(C=C2)OC)C3=CC=CC=N3
Structure:
CAS RN: 101395-32-8
CAS Name: N'-[2-[(4-methoxyphenyl)methyl-(2-pyridinyl)amino]ethyl]-N'-methylpentane-1,5-diamine
OPENEYE Name: N'-[2-[(4-methoxyphenyl)methyl-(2-pyridyl)amino]ethyl]-N'-methyl-pentane-1,5-diamine
IUPAC Name: N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylpentane-1,5-diamine
SYSTEMATIC NAME: N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-yl-amino]ethyl]-N'-methyl-pentane-1,5-diamine
MOLECULAR FORMULA: C21H32N4O
MOLECULAR WEIGHT: 356.50498
SMILES: CN(CCCCCN)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2
Structure:
CAS RN: 101394-50-7
CAS Name: (5S)-2,5-bis(3,4,5-trimethoxyphenyl)thiolane
OPENEYE Name: (5S)-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrothiophene
IUPAC Name: (5S)-2,5-bis(3,4,5-trimethoxyphenyl)thiolane
SYSTEMATIC NAME: (5S)-2,5-bis(3,4,5-trimethoxyphenyl)thiolane
MOLECULAR FORMULA: C22H28O6S
MOLECULAR WEIGHT: 420.51912
SMILES: COC1=CC(=CC(=C1OC)OC)[C@@H]2CCC(S2)C3=CC(=C(C(=C3)OC)OC)OC
Structure:
CAS RN: 101391-06-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H30O11
MOLECULAR WEIGHT: 542.5312
SMILES: CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3C45[C@@H]2[C@H]([C@@H]([C@@]([C@@H]4[C@H](C(=O)O3)OC(=O)C6=CC=CC=C6)(OC5)C(=O)OC)O)O)C)O
Structure:
CAS RN: 101391-05-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H36O11
MOLECULAR WEIGHT: 536.56814
SMILES: CCCCCC(=O)O[C@@H]1[C@H]2[C@@]3([C@H]([C@@H]([C@H]4C2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O)C(=O)OC
Structure:
CAS RN: 101387-98-8
CAS Name: 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5,5,7,7-tetramethyl-3H-cyclopenta[f]benzimidazol-6-one
OPENEYE Name: 2-[(4-methoxy-3-methyl-2-pyridyl)methylsulfinyl]-5,5,7,7-tetramethyl-3H-cyclopenta[f]benzimidazol-6-one
IUPAC Name: 2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfinyl]-5,5,7,7-tetramethyl-3H-cyclopenta[f]benzimidazol-6-one
SYSTEMATIC NAME: 2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-5,5,7,7-tetramethyl-3H-cyclopenta[f]benzimidazol-6-one
MOLECULAR FORMULA: C22H25N3O3S
MOLECULAR WEIGHT: 411.5172
SMILES: CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C4C(=C3)C(C(=O)C4(C)C)(C)C)OC
Structure:
CAS RN: 101387-37-5
CAS Name: [(3S,6R,8S,9S,13R,14S,17R)-3-hydroxy-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]methylastatine-211
OPENEYE Name: [(3S,6R,8S,9S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]methylastatine-211
IUPAC Name: [(3S,6R,8S,9S,13R,14S,17R)-3-hydroxy-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]methylastatine-211
SYSTEMATIC NAME: [(3S,6R,8S,9S,13R,14S,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]methylastatine-211
MOLECULAR FORMULA: C27H45AtO
MOLECULAR WEIGHT: 596.633081
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=C3CC[C@@H](C4)O)C[211At])C
Structure:
CAS RN: 101375-70-6
CAS Name: (2S)-2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-(2-bromo-1-oxoethyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-(2-bromoacetyl)amino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-(2-bromoacetyl)amino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-(2-bromanylethanoyl)amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C23H22BrN5O7
MOLECULAR WEIGHT: 560.35408
SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(CC2=CC3=C(C=C2)NC(=NC3=O)N)C(=O)CBr
Structure:
CAS RN: 101365-44-0
CAS Name: 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoic acid methyl ester
OPENEYE Name: methyl 2-[ethoxy-(isopropylamino)phosphinothioyl]oxybenzoate
IUPAC Name: methyl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate
SYSTEMATIC NAME: methyl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate
MOLECULAR FORMULA: C13H20NO4PS
MOLECULAR WEIGHT: 317.340961
SMILES: CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC
Structure:
CAS RN: 101339-26-8
CAS Name: 2-hydroxy-5-methoxy-3-octadecylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-hydroxy-5-methoxy-3-octadecyl-1,4-benzoquinone
IUPAC Name: 2-hydroxy-5-methoxy-3-octadecylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 5-methoxy-3-octadecyl-2-oxidanyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C25H42O4
MOLECULAR WEIGHT: 406.59858
SMILES: CCCCCCCCCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O
Structure:
CAS RN: 101337-87-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H16FN3O3S
MOLECULAR WEIGHT: 349.379943
SMILES: C1CN(CCN1)C2=C(C=C3C4=C2SCCN4C=C(C3=O)C(=O)O)F
Structure:
CAS RN: 101330-34-1
CAS Name: 6-[[amino-[[(3,5-diamino-6-chloro-2-pyrazinyl)-oxomethyl]amino]methylidene]amino]hexanoic acid
OPENEYE Name: 6-[[amino-[(3,5-diamino-6-chloro-pyrazine-2-carbonyl)amino]methylene]amino]hexanoic acid
IUPAC Name: 6-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]hexanoic acid
SYSTEMATIC NAME: 6-[[azanyl-[[3,5-bis(azanyl)-6-chloranyl-pyrazin-2-yl]carbonylamino]methylidene]amino]hexanoic acid
MOLECULAR FORMULA: C12H18ClN7O3
MOLECULAR WEIGHT: 343.76942
SMILES: C(CCC(=O)O)CCN=C(N)NC(=O)C1=C(N=C(C(=N1)Cl)N)N
Structure:
CAS RN: 101329-50-4
CAS Name: acetic acid [2-[[10-formyl-5,11,14-trihydroxy-13-methyl-12-oxo-17-(6-oxo-3-pyranyl)-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-6-methyl-4-oxanyl] ester
OPENEYE Name: [2-[[10-formyl-5,11,14-trihydroxy-13-methyl-12-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-6-methyl-tetrahydropyran-4-yl] acetate
IUPAC Name: [2-[[10-formyl-5,11,14-trihydroxy-13-methyl-12-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-6-methyloxan-4-yl] acetate
SYSTEMATIC NAME: [2-[[10-methanoyl-13-methyl-5,11,14-tris(oxidanyl)-12-oxidanylidene-17-(6-oxidanylidenepyran-3-yl)-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-3-oxidanyl-oxan-4-yl] ethanoate
MOLECULAR FORMULA: C32H42O12
MOLECULAR WEIGHT: 618.66868
SMILES: CC1CC(C(C(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(C(=O)C4O)C)C6=COC(=O)C=C6)O)C=O)O)OC(=O)C
Structure:
CAS RN: 101314-73-2
CAS Name: N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl]-2-iodoacetamide
OPENEYE Name: N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]-2-iodo-acetamide
IUPAC Name: N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-iodoacetamide
SYSTEMATIC NAME: 2-iodanyl-N-[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]ethanamide
MOLECULAR FORMULA: C12H16IN3O5
MOLECULAR WEIGHT: 409.17701
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=O)CI)O
Structure:
CAS RN: 101312-92-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H52N2O5S
MOLECULAR WEIGHT: 564.81998
SMILES: C[C@@H]1CCC23CCC(=O)[C@H]2C1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC(C)(C)CNC(=O)[C@@H](C(C)C)N)C
Structure:
CAS RN: 101311-04-0
CAS Name: (3R)-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-7-ol
OPENEYE Name: (3R)-3-(3-hydroxy-2,4-dimethoxy-phenyl)-8-methoxy-chroman-7-ol
IUPAC Name: (3R)-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol
SYSTEMATIC NAME: (3R)-3-(2,4-dimethoxy-3-oxidanyl-phenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol
MOLECULAR FORMULA: C18H20O6
MOLECULAR WEIGHT: 332.3478
SMILES: COC1=C(C(=C(C=C1)[C@H]2CC3=C(C(=C(C=C3)O)OC)OC2)OC)O
Structure:
CAS RN: 101299-67-6
CAS Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; platinum(2+); dichloride
OPENEYE Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzamidine; platinum(2+); dichloride
IUPAC Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; platinum(2+); dichloride
SYSTEMATIC NAME: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; platinum(2+); dichloride
MOLECULAR FORMULA: C19H24Cl2N4O2Pt
MOLECULAR WEIGHT: 606.40346
SMILES: C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.[Cl-].[Cl-].[Pt+2]
Structure:
CAS RN: 101249-72-3
CAS Name: (2S)-2-amino-4-[[(1S)-1-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]-2-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]ethyl]thio]butanoic acid
OPENEYE Name: (2S)-2-amino-4-[(1S)-1-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]ethyl]sulfanyl-butanoic acid
IUPAC Name: (2S)-2-amino-4-[(1S)-1-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]ethyl]sulfanylbutanoic acid
SYSTEMATIC NAME: (2S)-4-[(1S)-1-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]ethyl]sulfanyl-2-azanyl-butanoic acid
MOLECULAR FORMULA: C15H25N6O14P3S
MOLECULAR WEIGHT: 638.377083
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)[C@@H](CP(=O)(O)OP(=O)(O)OP(=O)(O)O)SCC[C@@H](C(=O)O)N)O)O
Structure:
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