CAS RN: 6797-84-8
CAS Name: [[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-2-oxolanyl]methoxy-hydroxyp
OPENEYE Name: [[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-tetra
IUPAC Name: [[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyp
SYSTEMATIC NAME: [[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]meth
MOLECULAR FORMULA: C30H40N15O25P5
MOLECULAR WEIGHT: 1165.592905
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC4[C@@H]([C@H](O[C@H]4N5C=NC6=C5N=CN=C6N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)OC[C@@H]7[C@H]([C@H](C(O7)N8C=NC9=C8N=CN=C9N)O)O
Structure:
CAS RN: 68015-83-8
CAS Name: (3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione; ethane-1,2-diol
OPENEYE Name: (3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione; ethylene glycol
IUPAC Name: (3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione; ethane-1,2-diol
SYSTEMATIC NAME: (3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione; ethane-1,2-diol
MOLECULAR FORMULA: C8H14O6
MOLECULAR WEIGHT: 206.19316
SMILES: C[C@H]1C(=O)O[C@H](C(=O)O1)C.C(CO)O
Structure:
CAS RN: 65956-63-0
CAS Name: octadecyl 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: octadecyl 2-(trimethylammonio)ethyl phosphate
IUPAC Name: octadecyl 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: octadecyl 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C23H50NO4P
MOLECULAR WEIGHT: 435.621161
SMILES: CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
Structure:
CAS RN: 67892-67-5
CAS Name: 6-methyl-3-(5-phenylpentan-2-yloxy)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine-1,9-diol
OPENEYE Name: 6-methyl-3-(1-methyl-4-phenyl-butoxy)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine-1,9-diol
IUPAC Name: 6-methyl-3-(5-phenylpentan-2-yloxy)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine-1,9-diol
SYSTEMATIC NAME: 6-methyl-3-(5-phenylpentan-2-yloxy)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine-1,9-diol
MOLECULAR FORMULA: C25H33NO3
MOLECULAR WEIGHT: 395.53442
SMILES: CC1C2CCC(CC2C3=C(C=C(C=C3N1)OC(C)CCCC4=CC=CC=C4)O)O
Structure:
CAS RN: 65446-56-2
CAS Name: (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-bromo-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-bromo-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-bromo-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-bromanyl-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C10H12BrN5O3
MOLECULAR WEIGHT: 330.13798
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)Br
Structure:
CAS RN: 108867-35-2
CAS Name: benzene-1,2,4-tricarboxylate; cyclohexane-1,2-diamine; hydron; platinum(2+)
OPENEYE Name: benzene-1,2,4-tricarboxylate; cyclohexane-1,2-diamine; hydron; platinum(2+)
IUPAC Name: benzene-1,2,4-tricarboxylate; cyclohexane-1,2-diamine; hydron; platinum(2+)
SYSTEMATIC NAME: benzene-1,2,4-tricarboxylate; cyclohexane-1,2-diamine; hydron; platinum(2+)
MOLECULAR FORMULA: C15H18N2O6Pt
MOLECULAR WEIGHT: 517.39122
SMILES: [H+].C1CCC(C(C1)N)N.C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-].[Pt+2]
Structure:
CAS RN: 65147-22-0
CAS Name: N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-2-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-1-oxopentyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(1S)-1-benzyl-2-[[(2S)-5-guanidino-2-[(4-methyl-2-oxo-chromen-7-yl)amino]pentanoyl]amino]-2-oxo-ethyl]carbamate
IUPAC Name: benzyl N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-2-[(4-methyl-2-oxochromen-7-yl)amino]pentanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]pentanoyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
MOLECULAR FORMULA: C33H36N6O6
MOLECULAR WEIGHT: 612.67554
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)N[C@@H](CCCN=C(N)N)C(=O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
Structure:
CAS RN: 94591-68-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H34N2O9
MOLECULAR WEIGHT: 542.57756
SMILES: CC1(C2C(C1(C)C)C(=O)OC3=C(C4=C(C=C23)C5C(O4)C6C5(C(=O)NC(=O)N6C7C[C@@H]([C@H](O7)CO)O)C)OC)C
Structure:
CAS RN: 67014-03-3
CAS Name: 1-(9H-fluoren-2-yl)-1-propanone
OPENEYE Name: 1-(9H-fluoren-2-yl)propan-1-one
IUPAC Name: 1-(9H-fluoren-2-yl)propan-1-one
SYSTEMATIC NAME: 1-(9H-fluoren-2-yl)propan-1-one
MOLECULAR FORMULA: C16H14O
MOLECULAR WEIGHT: 222.28176
SMILES: CCC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3C2
Structure:
CAS RN: 64987-85-5
CAS Name: 4-[(2,5-dioxo-1-pyrrolyl)methyl]-1-cyclohexanecarboxylic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarboxylate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 4-[[2,5-bis(oxidanylidene)pyrrol-1-yl]methyl]cyclohexane-1-carboxylate
MOLECULAR FORMULA: C16H18N2O6
MOLECULAR WEIGHT: 334.32392
SMILES: C1CC(CCC1CN2C(=O)C=CC2=O)C(=O)ON3C(=O)CCC3=O
Structure:
CAS RN: 94513-55-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H33NO9
MOLECULAR WEIGHT: 491.53082
SMILES: CC(C)[C@]1([C@H]([C@]2([C@]3(C[C@]4([C@@]1([C@@]2([C@@]5([C@@]3(CCC(=C)[C@H]5O)O)O4)O)C)O)C)O)OC(=O)C6=CC=CN6)O
Structure:
CAS RN: 6640-26-2
CAS Name: 3-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrrole-2,5-dione
OPENEYE Name: 3-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrole-2,5-dione
IUPAC Name: 3-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrole-2,5-dione
SYSTEMATIC NAME: 3-[(4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrrole-2,5-dione
MOLECULAR FORMULA: C9H11NO5
MOLECULAR WEIGHT: 213.18734
SMILES: C1[C@@H]([C@H](OC1C2=CC(=O)NC2=O)CO)O
Structure:
CAS RN: 6639-15-2
CAS Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; propanoic acid [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
IUPAC Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C40H56O5
MOLECULAR WEIGHT: 616.86964
SMILES: CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O
Structure:
CAS RN: 94500-53-5
CAS Name: 11-benzo[a]pyrenylmethanol
OPENEYE Name: benzo[a]pyren-11-ylmethanol
IUPAC Name: benzo[a]pyren-11-ylmethanol
SYSTEMATIC NAME: benzo[a]pyren-11-ylmethanol
MOLECULAR FORMULA: C21H14O
MOLECULAR WEIGHT: 282.33526
SMILES: C1=CC=C2C(=C1)C=C3C=CC4=C5C3=C2C(=CC5=CC=C4)CO
Structure:
CAS RN: 94500-43-3
CAS Name: 12-benzo[a]pyrenylmethanol
OPENEYE Name: benzo[a]pyren-12-ylmethanol
IUPAC Name: benzo[a]pyren-12-ylmethanol
SYSTEMATIC NAME: benzo[a]pyren-12-ylmethanol
MOLECULAR FORMULA: C21H14O
MOLECULAR WEIGHT: 282.33526
SMILES: C1=CC=C2C(=C1)C=C3C=CC4=C5C3=C2C=C(C5=CC=C4)CO
Structure:
CAS RN: 94458-82-9
CAS Name: 3-(6-aminopurin-9-yl)-2-hydroxypropanoic acid butan-2-yl ester
OPENEYE Name: sec-butyl 3-(6-aminopurin-9-yl)-2-hydroxy-propanoate
IUPAC Name: butan-2-yl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate
SYSTEMATIC NAME: butan-2-yl 3-(6-aminopurin-9-yl)-2-oxidanyl-propanoate
MOLECULAR FORMULA: C12H17N5O3
MOLECULAR WEIGHT: 279.29508
SMILES: CCC(C)OC(=O)C(CN1C=NC2=C1N=CN=C2N)O
Structure:
CAS RN: 94452-17-2
CAS Name: 2-methyl-N-[4-methyl-2-oxo-7-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-6-yl]pentadecanamide
OPENEYE Name: 2-methyl-N-[4-methyl-2-oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-6-yl]pentadecanamide
IUPAC Name: 2-methyl-N-[4-methyl-2-oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-6-yl]pentadecanamide
SYSTEMATIC NAME: N-[7-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methyl-2-oxidanylidene-chromen-6-yl]-2-methyl-pentadecanamide
MOLECULAR FORMULA: C32H49NO9
MOLECULAR WEIGHT: 591.73276
SMILES: CCCCCCCCCCCCCC(C)C(=O)NC1=C(C=C2C(=C1)C(=CC(=O)O2)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
Structure:
CAS RN: 94425-22-6
CAS Name: 6-amino-5,6,7,8-tetrahydronaphthalen-1-ol
OPENEYE Name: 2-aminotetralin-5-ol
IUPAC Name: 6-amino-5,6,7,8-tetrahydronaphthalen-1-ol
SYSTEMATIC NAME: 6-azanyl-5,6,7,8-tetrahydronaphthalen-1-ol
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: C1CC2=C(CC1N)C=CC=C2O
Structure:
CAS RN: 94415-61-9
CAS Name: (8S,9S,10R,13S,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,13S,14S,17S)-17-[(1R,2R)-1,2-dihydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R,3R)-6-methyl-2,3-bis(oxidanyl)heptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C27H44O3
MOLECULAR WEIGHT: 416.63646
SMILES: CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)O
Structure:
CAS RN: 6635-66-1
CAS Name: (2S,3S)-3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
OPENEYE Name: (2S,3S)-3-(2-hydroxyethylamino)-5,8-dimethoxy-tetralin-2-ol
IUPAC Name: (2S,3S)-3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
SYSTEMATIC NAME: (2S,3S)-3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
MOLECULAR FORMULA: C14H21NO4
MOLECULAR WEIGHT: 267.32084
SMILES: COC1=C2C[C@@H]([C@H](CC2=C(C=C1)OC)O)NCCO
Structure:
CAS RN: 6634-72-6
CAS Name: [(2R,3S)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(phosphonooxymethyl)-3-oxolanyl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl hydrogen phosphate; [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl [(2R,3S)-5
OPENEYE Name: [(2R,3S)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate; [(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahyd
IUPAC Name: [(2R,3S)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate; [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S)-5
SYSTEMATIC NAME: [(2R,3S)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate; [(2R,3S)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-
MOLECULAR FORMULA: C39H53N15O26P4
MOLECULAR WEIGHT: 1271.818064
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3CC(O[C@@H]3COP(=O)(O)O)N4C=NC5=C4NC(=NC5=O)N)O.C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O[C@H]3CC(O[C@@H]3COP(=O)(O)O)N4C=NC5=C4N=CN=C5N)O
Structure:
CAS RN: 6631-42-1
CAS Name: butanoic acid [(4aR,6R,7R,7aR)-2-hydroxy-2-oxo-6-[2-oxo-4-(1-oxobutylamino)-1-pyrimidinyl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-yl] ester
OPENEYE Name: [(4aR,6R,7R,7aR)-6-[4-(butanoylamino)-2-oxo-pyrimidin-1-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
IUPAC Name: [(4aR,6R,7R,7aR)-6-[4-(butanoylamino)-2-oxopyrimidin-1-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
SYSTEMATIC NAME: [(4aR,6R,7R,7aR)-6-[4-(butanoylamino)-2-oxidanylidene-pyrimidin-1-yl]-2-oxidanyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
MOLECULAR FORMULA: C17H24N3O9P
MOLECULAR WEIGHT: 445.360921
SMILES: CCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@H]3[C@H](O2)COP(=O)(O3)O)OC(=O)CCC
Structure:
CAS RN: 64431-96-5
CAS Name: 2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol
OPENEYE Name: 2-[3-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol
IUPAC Name: 2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-2-[3-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]propylamino]propane-1,3-diol
MOLECULAR FORMULA: C11H26N2O6
MOLECULAR WEIGHT: 282.33394
SMILES: C(CNC(CO)(CO)CO)CNC(CO)(CO)CO
Structure:
CAS RN: 6625-63-4
CAS Name: (2S)-3-(6-bromo-1H-indol-3-yl)-2-(trimethylammonio)propanoate
OPENEYE Name: (2S)-3-(6-bromo-1H-indol-3-yl)-2-(trimethylammonio)propanoate
IUPAC Name: (2S)-3-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate
SYSTEMATIC NAME: (2S)-3-(6-bromanyl-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate
MOLECULAR FORMULA: C14H17BrN2O2
MOLECULAR WEIGHT: 325.20098
SMILES: C[N+](C)(C)[C@@H](CC1=CNC2=C1C=CC(=C2)Br)C(=O)[O-]
Structure:
CAS RN: 99777-81-8
CAS Name: (2R)-4-amino-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-3,3-dimethyl-1-oxobutyl]amino]-4-oxobutanoic acid
OPENEYE Name: (2R)-4-amino-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-oxo-butanoic acid
IUPAC Name: (2R)-4-amino-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (2R)-4-azanyl-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C26H37N5O7
MOLECULAR WEIGHT: 531.60128
SMILES: CC(C)(C)[C@@H](C(=O)N[C@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C
Structure:
CAS RN: 64282-99-1
CAS Name: sulfuric acid 1-(1,3-benzodioxol-5-yl)prop-2-enyl ester
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)allyl hydrogen sulfate
IUPAC Name: 1-(1,3-benzodioxol-5-yl)prop-2-enyl hydrogen sulfate
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)prop-2-enyl hydrogen sulfate
MOLECULAR FORMULA: C10H10O6S
MOLECULAR WEIGHT: 258.2478
SMILES: C=CC(C1=CC2=C(C=C1)OCO2)OS(=O)(=O)O
Structure:
CAS RN: 63805-80-1
CAS Name: N-(1-ethoxycyclopropyl)benzamide
OPENEYE Name: N-(1-ethoxycyclopropyl)benzamide
IUPAC Name: N-(1-ethoxycyclopropyl)benzamide
SYSTEMATIC NAME: N-(1-ethoxycyclopropyl)benzamide
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: CCOC1(CC1)NC(=O)C2=CC=CC=C2
Structure:
CAS RN: 99750-50-2
CAS Name: (2S)-2,6-diamino-N-[(2S)-1-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-1-oxopropan-2-yl]hexanamide
OPENEYE Name: (2S)-2,6-diamino-N-[(1S)-1-methyl-2-[(4-methyl-2-oxo-chromen-7-yl)amino]-2-oxo-ethyl]hexanamide
IUPAC Name: (2S)-2,6-diamino-N-[(2S)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]hexanamide
SYSTEMATIC NAME: (2S)-2,6-bis(azanyl)-N-[(2S)-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-1-oxidanylidene-propan-2-yl]hexanamide
MOLECULAR FORMULA: C19H26N4O4
MOLECULAR WEIGHT: 374.43414
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)N
Structure:
CAS RN: 119515-38-7
CAS Name: 2-(2-hydroxyethyl)-1-piperidinecarboxylic acid butan-2-yl ester
OPENEYE Name: sec-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
IUPAC Name: butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate
SYSTEMATIC NAME: butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate
MOLECULAR FORMULA: C12H23NO3
MOLECULAR WEIGHT: 229.31592
SMILES: CCC(C)OC(=O)N1CCCCC1CCO
Structure:
CAS RN: 658051-75-3
CAS Name: 2-(2-hydroxyethyl)-1-piperidinecarboxylic acid butan-2-yl ester
OPENEYE Name: sec-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
IUPAC Name: butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate
SYSTEMATIC NAME: butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate
MOLECULAR FORMULA: C12H23NO3
MOLECULAR WEIGHT: 229.31592
SMILES: CCC(C)OC(=O)N1CCCCC1CCO
Structure:
CAS RN: 99697-24-2
CAS Name: 1,1,1,2,2-pentafluorohexane
OPENEYE Name: 1,1,1,2,2-pentafluorohexane
IUPAC Name: 1,1,1,2,2-pentafluorohexane
SYSTEMATIC NAME: 1,1,1,2,2-pentakis(fluoranyl)hexane
MOLECULAR FORMULA: C6H9F5
MOLECULAR WEIGHT: 176.127676
SMILES: CCCCC(C(F)(F)F)(F)F
Structure:
CAS RN: 93836-11-4
CAS Name: 2-[4-[[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-3-oxanyl]oxy]-1-methoxybutoxy]-6-methoxyoxane-3,4,5-triol
OPENEYE Name: 2-[4-[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-1-methoxy-butoxy]-6-methoxy-tetrahydropyran-3,4,5-triol
IUPAC Name: 2-[4-[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-1-methoxybutoxy]-6-methoxyoxane-3,4,5-triol
SYSTEMATIC NAME: 2-[4-[2-(hydroxymethyl)-6-methoxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-1-methoxy-butoxy]-6-methoxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C18H34O13
MOLECULAR WEIGHT: 458.45476
SMILES: COC1C(C(C(C(O1)CO)OCCCC(OC)OC2C(C(C(C(O2)OC)O)O)O)O)O
Structure:
CAS RN: 99506-17-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H40N2O6
MOLECULAR WEIGHT: 608.7233
SMILES: CN1CCC2=CC3=C(C=C2[C@H]1CC4=CC(=C(C=C4)O)C5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)OC)OC
Structure:
CAS RN: 99244-81-2
CAS Name: (1R,4aR,6aR,7R)-1-hydroxy-1-(hydroxymethyl)-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid
OPENEYE Name: (1R,4aR,6aR,7R)-1-hydroxy-1-(hydroxymethyl)-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid
IUPAC Name: (1R,4aR,6aR,7R)-1-hydroxy-1-(hydroxymethyl)-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid
SYSTEMATIC NAME: (1R,4aR,6aR,7R)-1-(hydroxymethyl)-7,8-dimethyl-1-oxidanyl-2-oxidanylidene-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid
MOLECULAR FORMULA: C15H18O6
MOLECULAR WEIGHT: 294.29982
SMILES: C[C@@H]1[C@H]2C=C([C@H]3C2(C=C1C)[C@](C(=O)OC3)(CO)O)C(=O)O
Structure:
CAS RN: 99196-22-2
CAS Name: 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-iodo-2-pyrimidinone
OPENEYE Name: 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidin-2-one
IUPAC Name: 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
SYSTEMATIC NAME: 1-[(4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-iodanyl-pyrimidin-2-one
MOLECULAR FORMULA: C9H11IN2O4
MOLECULAR WEIGHT: 338.09911
SMILES: C1[C@@H]([C@H](OC1N2C=C(C=NC2=O)I)CO)O
Structure:
Our trained chemists work on custom projects designed specifically for the needs of each client. 3,6-Dimethyl-1,4-dioxane-2,5-dione homopolymer
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