CAS RN: 98303-20-9
CAS Name: [5-(2,4-dioxo-1-pyrimidinyl)-3-oxo-2-oxolanyl]methyl phosphono hydrogen phosphate
OPENEYE Name: [5-(2,4-dioxopyrimidin-1-yl)-3-oxo-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
IUPAC Name: [5-(2,4-dioxopyrimidin-1-yl)-3-oxooxolan-2-yl]methyl phosphono hydrogen phosphate
SYSTEMATIC NAME: [5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanylidene-oxolan-2-yl]methyl phosphono hydrogen phosphate
MOLECULAR FORMULA: C9H12N2O11P2
MOLECULAR WEIGHT: 386.145902
SMILES: C1C(OC(C1=O)COP(=O)(O)OP(=O)(O)O)N2C=CC(=O)NC2=O
Structure:
CAS RN: 98326-33-1
CAS Name: [[4-chloro-5-(2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]-tritiomethyl] dihydrogen phosphate
OPENEYE Name: [[4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]-tritio-methyl] dihydrogen phosphate
IUPAC Name: [[4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-tritiomethyl] dihydrogen phosphate
SYSTEMATIC NAME: [[5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-chloranyl-3-oxidanyl-oxolan-2-yl]-tritio-methyl] dihydrogen phosphate
MOLECULAR FORMULA: C9H12ClN2O8P
MOLECULAR WEIGHT: 344.63505
SMILES: [3H]C(C1C(C(C(O1)N2C=CC(=O)NC2=O)Cl)O)OP(=O)(O)O
Structure:
CAS RN: 98300-80-2
CAS Name: 1,10-phenanthroline; quinoxalino[2,3-f][1,9]phenanthroline; ruthenium(2+)
OPENEYE Name: 1,10-phenanthroline; quinoxalino[2,3-f][1,9]phenanthroline; ruthenium(2+)
IUPAC Name: 1,10-phenanthroline; quinoxalino[2,3-f][1,9]phenanthroline; ruthenium(2+)
SYSTEMATIC NAME: 1,10-phenanthroline; quinoxalino[2,3-f][1,9]phenanthroline; ruthenium(2+)
MOLECULAR FORMULA: C42H26N8Ru+2
MOLECULAR WEIGHT: 743.77944
SMILES: C1=CC=C2C(=C1)N=C3C4=C(C5=C(C3=N2)C=CN=C5)N=CC=C4.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Ru+2]
Structure:
CAS RN: 92481-94-2
CAS Name: 2-[[5-[5-[4-[1-(2-amino-7-methyl-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)ethylamino]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxypentanedioic acid
OPENEYE Name: 2-[[5-[5-[4-[1-(2-amino-7-methyl-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)ethylamino]phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxypentanedioic acid
IUPAC Name: 2-[[5-[5-[4-[1-(2-amino-7-methyl-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)ethylamino]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxypentanedioic acid
SYSTEMATIC NAME: 2-[[5-[5-[4-[1-(2-azanyl-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pteridin-6-yl)ethylamino]phenyl]-2,3,4-tris(oxidanyl)pentoxy]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxypentanedioic acid
MOLECULAR FORMULA: C30H45N6O16P
MOLECULAR WEIGHT: 776.682661
SMILES: CC1C(NC2=C(N1)NC(=NC2=O)N)C(C)NC3=CC=C(C=C3)CC(C(C(COC4C(C(C(O4)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O
Structure:
CAS RN: 92279-65-7
CAS Name: N-octadecyl-3-(2-pyridinyldisulfanyl)propanamide
OPENEYE Name: N-octadecyl-3-(2-pyridyldisulfanyl)propanamide
IUPAC Name: N-octadecyl-3-(pyridin-2-yldisulfanyl)propanamide
SYSTEMATIC NAME: N-octadecyl-3-(pyridin-2-yldisulfanyl)propanamide
MOLECULAR FORMULA: C26H46N2OS2
MOLECULAR WEIGHT: 466.78624
SMILES: CCCCCCCCCCCCCCCCCCNC(=O)CCSSC1=CC=CC=N1
Structure:
CAS RN: 92279-08-8
CAS Name: (2S)-2-[[2-[[(4-hydroxyphenyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[2-[(4-hydroxyphenyl)carbonylamino]ethanoylamino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C18H18N2O5
MOLECULAR WEIGHT: 342.34592
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CNC(=O)C2=CC=C(C=C2)O
Structure:
CAS RN: 6631-11-4
CAS Name: N-[(3S)-2-oxo-3-piperidinyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(3S)-2-oxo-3-piperidyl]carbamate
IUPAC Name: tert-butyl N-[(3S)-2-oxopiperidin-3-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(3S)-2-oxidanylidenepiperidin-3-yl]carbamate
MOLECULAR FORMULA: C10H18N2O3
MOLECULAR WEIGHT: 214.26152
SMILES: CC(C)(C)OC(=O)N[C@H]1CCCNC1=O
Structure:
CAS RN: 92235-39-7
CAS Name: N-[(3S)-2-oxo-3-piperidinyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(3S)-2-oxo-3-piperidyl]carbamate
IUPAC Name: tert-butyl N-[(3S)-2-oxopiperidin-3-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(3S)-2-oxidanylidenepiperidin-3-yl]carbamate
MOLECULAR FORMULA: C10H18N2O3
MOLECULAR WEIGHT: 214.26152
SMILES: CC(C)(C)OC(=O)N[C@H]1CCCNC1=O
Structure:
CAS RN: 97900-88-4
CAS Name: (2R,4S,6R)-5-acetamido-2-[(2R)-2,3-di(tetradecoxy)propoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid
OPENEYE Name: (2R,4S,6R)-5-acetamido-2-[(2R)-2,3-di(tetradecoxy)propoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
IUPAC Name: (2R,4S,6R)-5-acetamido-2-[(2R)-2,3-di(tetradecoxy)propoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SYSTEMATIC NAME: (2R,4S,6R)-5-acetamido-2-[(2R)-2,3-di(tetradecoxy)propoxy]-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
MOLECULAR FORMULA: C42H81NO11
MOLECULAR WEIGHT: 776.09264
SMILES: CCCCCCCCCCCCCCOC[C@H](CO[C@@]1(C[C@@H](C([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)OCCCCCCCCCCCCCC
Structure:
CAS RN: 97890-19-2
CAS Name: [[(2S,4R)-5-(6-aminopurin-9-yl)-3-azido-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[(2S,4R)-5-(6-aminopurin-9-yl)-3-azido-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[(2S,4R)-5-(6-aminopurin-9-yl)-3-azido-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2S,4R)-5-(6-aminopurin-9-yl)-3-azido-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H15N8O12P3
MOLECULAR WEIGHT: 532.193783
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3[C@@H](C([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=[N+]=[N-])O
Structure:
CAS RN: 97890-13-6
CAS Name: [[(2S,4R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-azido-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[(2S,4R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-azido-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[(2S,4R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-azido-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2S,4R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-azido-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H15N8O13P3
MOLECULAR WEIGHT: 548.193183
SMILES: C1=NC2=C(N1C3[C@@H](C([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=[N+]=[N-])O)NC(=NC2=O)N
Structure:
CAS RN: 97890-09-0
CAS Name: [(2S,4R)-5-(6-aminopurin-9-yl)-3-azido-4-hydroxy-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [(2S,4R)-5-(6-aminopurin-9-yl)-3-azido-4-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [(2S,4R)-5-(6-aminopurin-9-yl)-3-azido-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2S,4R)-5-(6-aminopurin-9-yl)-3-azido-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C10H13N8O6P
MOLECULAR WEIGHT: 372.233981
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3[C@@H](C([C@H](O3)COP(=O)(O)O)N=[N+]=[N-])O
Structure:
CAS RN: 92046-39-4
CAS Name: (2S,4R)-1-[(2R)-2-[(2-amino-1-oxoethyl)amino]-3-methyl-1-oxobutyl]-4-hydroxy-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S,4R)-1-[(2R)-2-[(2-aminoacetyl)amino]-3-methyl-butanoyl]-4-hydroxy-pyrrolidine-2-carboxylic acid
IUPAC Name: (2S,4R)-1-[(2R)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S,4R)-1-[(2R)-2-(2-azanylethanoylamino)-3-methyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C12H21N3O5
MOLECULAR WEIGHT: 287.31224
SMILES: CC(C)[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)O)O)NC(=O)CN
Structure:
CAS RN: 92008-00-9
CAS Name: 2-[[[4-[[2-amino-5-[[1-[4-hydroxy-5-(phosphonooxymethyl)-2-oxolanyl]-2,4-dioxo-5-pyrimidinyl]methyl]-4-oxo-1,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[[2-amino-5-[[1-[4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]methyl]-4-oxo-1,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[[2-amino-5-[[1-[4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-4-oxo-1,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[2-azanyl-5-[[2,4-bis(oxidanylidene)-1-[4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidin-5-yl]methyl]-4-oxidanylidene-1,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C30H37N8O14P
MOLECULAR WEIGHT: 764.633741
SMILES: C1CC2=C(C(=O)N=C(N2)N)N(C1CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)CC4=CN(C(=O)NC4=O)C5CC(C(O5)COP(=O)(O)O)O
Structure:
CAS RN: 91999-14-3
CAS Name: 2-iodobenzoic acid [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 2-iodobenzoate
IUPAC Name: [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 2-iodobenzoate
SYSTEMATIC NAME: [(8R,9S,13S,14S)-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 2-iodanylbenzoate
MOLECULAR FORMULA: C25H25IO3
MOLECULAR WEIGHT: 500.36867
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5I
Structure:
CAS RN: 91987-74-5
CAS Name: [4,7,10-tris(phosphonomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methylphosphonic acid
OPENEYE Name: [4,7,10-tris(phosphonomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methylphosphonic acid
IUPAC Name: [4,7,10-tris(phosphonomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methylphosphonic acid
SYSTEMATIC NAME: [4,7,10-tris(phosphonomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methylphosphonic acid
MOLECULAR FORMULA: C12H32N4O12P4
MOLECULAR WEIGHT: 548.297124
SMILES: C1CN(CCN(CCN(CCN1CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
Structure:
CAS RN: 91985-74-9
CAS Name: N-(9H-pyrido[3,4-b]indol-3-yl)carbamic acid methyl ester
OPENEYE Name: methyl N-(9H-pyrido[3,4-b]indol-3-yl)carbamate
IUPAC Name: methyl N-(9H-pyrido[3,4-b]indol-3-yl)carbamate
SYSTEMATIC NAME: methyl N-(9H-pyrido[3,4-b]indol-3-yl)carbamate
MOLECULAR FORMULA: C13H11N3O2
MOLECULAR WEIGHT: 241.24534
SMILES: COC(=O)NC1=NC=C2C(=C1)C3=CC=CC=C3N2
Structure:
CAS RN: 91969-06-1
CAS Name: (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(6-methoxy-9-purinyl)oxolane-3,4-diol
OPENEYE Name: (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H14N4O5
MOLECULAR WEIGHT: 282.25266
SMILES: COC1=NC=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O
Structure:
CAS RN: 97801-05-3
CAS Name: (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(6-methoxy-9-purinyl)oxolane-3,4-diol
OPENEYE Name: (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H14N4O5
MOLECULAR WEIGHT: 282.25266
SMILES: COC1=NC=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O
Structure:
CAS RN: 97730-31-9
CAS Name: N-(6-aminohexyl)-1-imidazolecarboxamide hydrochloride
OPENEYE Name: N-(6-aminohexyl)imidazole-1-carboxamide hydrochloride
IUPAC Name: N-(6-aminohexyl)imidazole-1-carboxamide hydrochloride
SYSTEMATIC NAME: N-(6-azanylhexyl)imidazole-1-carboxamide hydrochloride
MOLECULAR FORMULA: C10H19ClN4O
MOLECULAR WEIGHT: 246.73706
SMILES: C1=CN(C=N1)C(=O)NCCCCCCN.Cl
Structure:
CAS RN: 976-85-2
CAS Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(phosphonooxymethyl)-3-oxolanyl] [(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-2-oxolanyl]methyl hydrogen phosphate
OPENEYE Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
IUPAC Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-1,3,5-triazin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
MOLECULAR FORMULA: C18H25N9O13P2
MOLECULAR WEIGHT: 637.391122
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O)N4C=NC5=C4NC(=NC5=O)N)O
Structure:
CAS RN: 91700-98-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C65H73Cl2N9O24
MOLECULAR WEIGHT: 1435.22702
SMILES: CCC(C)[C@H](C(=O)N[C@@H]1[C@@H](C2=CC(=C(C=C2)OC3=CC4=CC(=C3O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6C[C@]([C@@H]([C@@H](O6)C)O)(C)N)OC7=C(C=C(C=C7)[C@H]([C@H]8C(=O)N[C@@H](C9=CC(=CC(=C9C2=C(C=CC(=C2)[C@H](C(=O)N8)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)
Structure:
CAS RN: 143492-38-0
CAS Name: N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
OPENEYE Name: N-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]tetradecanamide
IUPAC Name: N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
SYSTEMATIC NAME: N-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]tetradecanamide
MOLECULAR FORMULA: C23H39NO2
MOLECULAR WEIGHT: 361.56126
SMILES: CCCCCCCCCCCCCC(=O)N[C@H](C)[C@H](C1=CC=CC=C1)O
Structure:
CAS RN: 6266-48-4
CAS Name: 1,2-dihydrobenzo[a]anthracene-1,2-diol
OPENEYE Name: 1,2-dihydrobenzo[a]anthracene-1,2-diol
IUPAC Name: 1,2-dihydrobenzo[a]anthracene-1,2-diol
SYSTEMATIC NAME: 1,2-dihydrobenzo[a]anthracene-1,2-diol
MOLECULAR FORMULA: C18H14O2
MOLECULAR WEIGHT: 262.30256
SMILES: C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C(C(C=C4)O)O
Structure:
CAS RN: 60839-20-5
CAS Name: 1,2-dihydrobenzo[a]anthracene-1,2-diol
OPENEYE Name: 1,2-dihydrobenzo[a]anthracene-1,2-diol
IUPAC Name: 1,2-dihydrobenzo[a]anthracene-1,2-diol
SYSTEMATIC NAME: 1,2-dihydrobenzo[a]anthracene-1,2-diol
MOLECULAR FORMULA: C18H14O2
MOLECULAR WEIGHT: 262.30256
SMILES: C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C(C(C=C4)O)O
Structure:
CAS RN: 60729-78-4
CAS Name: N,N-dimethyl-2-tridecanamine oxide
OPENEYE Name: N,N-dimethyltridecan-2-amine oxide
IUPAC Name: N,N-dimethyltridecan-2-amine oxide
SYSTEMATIC NAME: N,N-dimethyltridecan-2-amine oxide
MOLECULAR FORMULA: C15H33NO
MOLECULAR WEIGHT: 243.42862
SMILES: CCCCCCCCCCCC(C)[N+](C)(C)[O-]
Structure:
CAS RN: 62607-69-6
CAS Name: (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol; sulfuric acid
OPENEYE Name: (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol; sulfuric acid
IUPAC Name: (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol; sulfuric acid
SYSTEMATIC NAME: (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol; sulfuric acid
MOLECULAR FORMULA: C19H32O6S
MOLECULAR WEIGHT: 388.51878
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC=C4[C@@]3(CC[C@@H](C4)O)C.OS(=O)(=O)O
Structure:
CAS RN: 60725-35-1
CAS Name: 4-methylpiperazine-2,6-dione
OPENEYE Name: 4-methylpiperazine-2,6-dione
IUPAC Name: 4-methylpiperazine-2,6-dione
SYSTEMATIC NAME: 4-methylpiperazine-2,6-dione
MOLECULAR FORMULA: C5H8N2O2
MOLECULAR WEIGHT: 128.12922
SMILES: CN1CC(=O)NC(=O)C1
Structure:
CAS RN: 60172-10-3
CAS Name: N1,N4-bis[4-[[(1-methyl-3-pyridin-1-iumyl)amino]-oxomethyl]phenyl]bicyclo[2.2.2]octane-1,4-dicarboxamide
OPENEYE Name: N1,N4-bis[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]bicyclo[2.2.2]octane-1,4-dicarboxamide
IUPAC Name: 1-N,4-N-bis[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]bicyclo[2.2.2]octane-1,4-dicarboxamide
SYSTEMATIC NAME: N1,N4-bis[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]bicyclo[2.2.2]octane-1,4-dicarboxamide
MOLECULAR FORMULA: C36H38N6O4+2
MOLECULAR WEIGHT: 618.72472
SMILES: C[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C34CCC(CC3)(CC4)C(=O)NC5=CC=C(C=C5)C(=O)NC6=C[N+](=CC=C6)C
Structure:
CAS RN: 6234-69-1
CAS Name: 1-[1-(9-acridinylamino)propan-2-ylamino]-3-(1-naphthalenyloxy)-2-propanol
OPENEYE Name: 1-[[2-(acridin-9-ylamino)-1-methyl-ethyl]amino]-3-(1-naphthyloxy)propan-2-ol
IUPAC Name: 1-[1-(acridin-9-ylamino)propan-2-ylamino]-3-naphthalen-1-yloxypropan-2-ol
SYSTEMATIC NAME: 1-[1-(acridin-9-ylamino)propan-2-ylamino]-3-naphthalen-1-yloxy-propan-2-ol
MOLECULAR FORMULA: C29H29N3O2
MOLECULAR WEIGHT: 451.55946
SMILES: CC(CNC1=C2C=CC=CC2=NC3=CC=CC=C31)NCC(COC4=CC=CC5=CC=CC=C54)O
Structure:
CAS RN: 627-74-7
CAS Name: 2-[(2-amino-1-oxoethyl)amino]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[(2-aminoacetyl)amino]acetate
IUPAC Name: ethyl 2-[(2-aminoacetyl)amino]acetate
SYSTEMATIC NAME: ethyl 2-(2-azanylethanoylamino)ethanoate
MOLECULAR FORMULA: C6H12N2O3
MOLECULAR WEIGHT: 160.17108
SMILES: CCOC(=O)CNC(=O)CN
Structure:
CAS RN: 62160-80-9
CAS Name: 2-[(2-amino-1-oxoethyl)amino]acetic acid ethyl ester; platinum(2+); dichloride
OPENEYE Name: ethyl 2-[(2-aminoacetyl)amino]acetate; platinum(2+); dichloride
IUPAC Name: ethyl 2-[(2-aminoacetyl)amino]acetate; platinum(2+); dichloride
SYSTEMATIC NAME: ethyl 2-(2-azanylethanoylamino)ethanoate; platinum(2+); dichloride
MOLECULAR FORMULA: C12H24Cl2N4O6Pt
MOLECULAR WEIGHT: 586.32616
SMILES: CCOC(=O)CNC(=O)CN.CCOC(=O)CNC(=O)CN.[Cl-].[Cl-].[Pt+2]
Structure:
CAS RN: 59920-31-9
CAS Name: (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
OPENEYE Name: (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
IUPAC Name: (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
SYSTEMATIC NAME: (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
MOLECULAR FORMULA: C6H13NO4
MOLECULAR WEIGHT: 163.17172
SMILES: C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O
Structure:
CAS RN: 210115-92-7
CAS Name: (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
OPENEYE Name: (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
IUPAC Name: (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
SYSTEMATIC NAME: (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
MOLECULAR FORMULA: C6H13NO4
MOLECULAR WEIGHT: 163.17172
SMILES: C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O
Structure:
CAS RN: 6163-82-2
CAS Name: (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
OPENEYE Name: (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
IUPAC Name: (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
SYSTEMATIC NAME: (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
MOLECULAR FORMULA: C6H13NO4
MOLECULAR WEIGHT: 163.17172
SMILES: C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O
Structure:
CAS RN: 60355-77-3
CAS Name: (2R)-2-[[2-[[2-[[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1-oxopropyl]amino]-1-oxoethyl]amino]-5-amino-5-oxopentanoic acid
OPENEYE Name: (2R)-2-[[2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoylamino]acetyl]amino]-5-amino-5-oxo-pentanoic acid
IUPAC Name: (2R)-2-[[2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]acetyl]amino]-5-amino-5-oxopentanoic acid
SYSTEMATIC NAME: (2R)-2-[2-[2-[(2R,3S,4R,5R,6S)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoylamino]ethanoylamino]-5-azanyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C18H30N4O11
MOLECULAR WEIGHT: 478.451
SMILES: CC(C(=O)NCC(=O)N[C@H](CCC(=O)N)C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C
Structure:
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