CAS RN: 5443-82-3
CAS Name: (2S)-2-amino-3-(1H-imidazol-5-yl)-1-propanol
OPENEYE Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol
IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol
SYSTEMATIC NAME: (2S)-2-azanyl-3-(1H-imidazol-5-yl)propan-1-ol
MOLECULAR FORMULA: C6H11N3O
MOLECULAR WEIGHT: 141.17104
SMILES: C1=C(NC=N1)C[C@@H](CO)N
Structure:
CAS RN: 5443-52-7
CAS Name: [(2R,3S,5S)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl hydrogen phosphate
OPENEYE Name: [(2R,3S,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
IUPAC Name: [(2R,3S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
MOLECULAR FORMULA: C19H26N5O11P
MOLECULAR WEIGHT: 531.410401
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@H](O[C@@H]3CO)N4C=CC(=NC4=O)N)O
Structure:
CAS RN: 6945-47-7
CAS Name: 3-imino-N,5-diphenyl-2-phenazinamine
OPENEYE Name: 3-imino-N,5-diphenyl-phenazin-2-amine
IUPAC Name: 3-imino-N,5-diphenylphenazin-2-amine
SYSTEMATIC NAME: 3-azanylidene-N,5-diphenyl-phenazin-2-amine
MOLECULAR FORMULA: C24H18N4
MOLECULAR WEIGHT: 362.42652
SMILES: C1=CC=C(C=C1)NC2=CC3=NC4=CC=CC=C4N(C3=CC2=N)C5=CC=CC=C5
Structure:
CAS RN: 4733-21-5
CAS Name: 3-imino-N,5-diphenyl-2-phenazinamine
OPENEYE Name: 3-imino-N,5-diphenyl-phenazin-2-amine
IUPAC Name: 3-imino-N,5-diphenylphenazin-2-amine
SYSTEMATIC NAME: 3-azanylidene-N,5-diphenyl-phenazin-2-amine
MOLECULAR FORMULA: C24H18N4
MOLECULAR WEIGHT: 362.42652
SMILES: C1=CC=C(C=C1)NC2=CC3=NC4=CC=CC=C4N(C3=CC2=N)C5=CC=CC=C5
Structure:
CAS RN: 4666-84-6
CAS Name: (1R,4aR,7R,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
OPENEYE Name: (1R,4aR,7R,8aR)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-decalin-1-ol
IUPAC Name: (1R,4aR,7R,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
SYSTEMATIC NAME: (1R,4aR,7R,8aR)-1,4a-dimethyl-7-(2-oxidanylpropan-2-yl)-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
MOLECULAR FORMULA: C15H28O2
MOLECULAR WEIGHT: 240.38162
SMILES: C[C@]12CCC[C@@]([C@@H]1C[C@@H](CC2)C(C)(C)O)(C)O
Structure:
CAS RN: 6338-30-3
CAS Name: (1R,4aR,7R,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
OPENEYE Name: (1R,4aR,7R,8aR)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-decalin-1-ol
IUPAC Name: (1R,4aR,7R,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
SYSTEMATIC NAME: (1R,4aR,7R,8aR)-1,4a-dimethyl-7-(2-oxidanylpropan-2-yl)-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
MOLECULAR FORMULA: C15H28O2
MOLECULAR WEIGHT: 240.38162
SMILES: C[C@]12CCC[C@@]([C@@H]1C[C@@H](CC2)C(C)(C)O)(C)O
Structure:
CAS RN: 185900-78-1
CAS Name: zinc octadecyl phosphate
OPENEYE Name: zinc octadecyl phosphate
IUPAC Name: zinc octadecyl phosphate
SYSTEMATIC NAME: zinc octadecyl phosphate
MOLECULAR FORMULA: C18H37O4PZn
MOLECULAR WEIGHT: 413.866741
SMILES: CCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].[Zn+2]
Structure:
CAS RN: 7270-12-4
CAS Name: (2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid; (2,5-dioxo-4-imidazolidinyl)urea
OPENEYE Name: (2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid; (2,5-dioxoimidazolidin-4-yl)urea
IUPAC Name: (2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid; (2,5-dioxoimidazolidin-4-yl)urea
SYSTEMATIC NAME: (2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid; 1-[2,5-bis(oxidanylidene)imidazolidin-4-yl]urea
MOLECULAR FORMULA: C34H52N4O7
MOLECULAR WEIGHT: 628.79928
SMILES: C[C@]12CC[C@@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O.C1(C(=O)NC(=O)N1)NC(=O)N
Structure:
CAS RN: 4549-94-4
CAS Name: N-[4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide hydrochloride
OPENEYE Name: N-[4-[(1S)-1-hydroxy-2-(isopropylamino)ethyl]phenyl]methanesulfonamide hydrochloride
IUPAC Name: N-[4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide hydrochloride
SYSTEMATIC NAME: N-[4-[(1S)-1-oxidanyl-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide hydrochloride
MOLECULAR FORMULA: C12H21ClN2O3S
MOLECULAR WEIGHT: 308.82474
SMILES: CC(C)NC[C@H](C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl
Structure:
CAS RN: 5454-14-8
CAS Name: (2S)-2-[[9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]amino]butanedioic acid
OPENEYE Name: (2S)-2-[[9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]butanedioic acid
IUPAC Name: (2S)-2-[[9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
SYSTEMATIC NAME: (2S)-2-[[9-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
MOLECULAR FORMULA: C14H17N5O8
MOLECULAR WEIGHT: 383.31348
SMILES: C1=NC2=C(C(=N1)N[C@@H](CC(=O)O)C(=O)O)N=CN2[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
Structure:
CAS RN: 4542-23-8
CAS Name: (2S)-2-[[9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]amino]butanedioic acid
OPENEYE Name: (2S)-2-[[9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]butanedioic acid
IUPAC Name: (2S)-2-[[9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
SYSTEMATIC NAME: (2S)-2-[[9-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
MOLECULAR FORMULA: C14H17N5O8
MOLECULAR WEIGHT: 383.31348
SMILES: C1=NC2=C(C(=N1)N[C@@H](CC(=O)O)C(=O)O)N=CN2[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
Structure:
CAS RN: 4503-12-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H27ClN2O3
MOLECULAR WEIGHT: 390.90368
SMILES: CC[C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2O)CCC4=C3NC5=CC=CC=C45)C(=O)OC.Cl
Structure:
CAS RN: 5432-19-9
CAS Name: 2-(4-chloro-2-sulfamoylphenoxy)acetic acid
OPENEYE Name: 2-(4-chloro-2-sulfamoyl-phenoxy)acetic acid
IUPAC Name: 2-(4-chloro-2-sulfamoylphenoxy)acetic acid
SYSTEMATIC NAME: 2-(4-chloranyl-2-sulfamoyl-phenoxy)ethanoic acid
MOLECULAR FORMULA: C8H8ClNO5S
MOLECULAR WEIGHT: 265.67082
SMILES: C1=CC(=C(C=C1Cl)S(=O)(=O)N)OCC(=O)O
Structure:
CAS RN: 4479-25-8
CAS Name: 1-(4-butylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
OPENEYE Name: 1-(4-butylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
IUPAC Name: 1-(4-butylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
SYSTEMATIC NAME: 1-(4-butylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
MOLECULAR FORMULA: C15H24ClN5
MOLECULAR WEIGHT: 309.83756
SMILES: CCCCC1=CC=C(C=C1)N2C(=NC(=NC2(C)C)N)N.Cl
Structure:
CAS RN: 5431-69-6
CAS Name: 1-(4-butylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
OPENEYE Name: 1-(4-butylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
IUPAC Name: 1-(4-butylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
SYSTEMATIC NAME: 1-(4-butylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
MOLECULAR FORMULA: C15H24ClN5
MOLECULAR WEIGHT: 309.83756
SMILES: CCCCC1=CC=C(C=C1)N2C(=NC(=NC2(C)C)N)N.Cl
Structure:
CAS RN: 4476-04-4
CAS Name: cadmium; 10-hydroxy-10-oxodecanoate
OPENEYE Name: cadmium; 10-hydroxy-10-oxo-decanoate
IUPAC Name: cadmium; 10-hydroxy-10-oxodecanoate
SYSTEMATIC NAME: cadmium; 10-oxidanyl-10-oxidanylidene-decanoate
MOLECULAR FORMULA: C10H17CdO4-
MOLECULAR WEIGHT: 313.65058
SMILES: C(CCCCC(=O)[O-])CCCC(=O)O.[Cd]
Structure:
CAS RN: 4450-94-6
CAS Name: ammonium 3-carboxy-3,5-dihydroxy-5-oxopentanoate
OPENEYE Name: ammonium 3-carboxy-3,5-dihydroxy-5-oxo-pentanoate
IUPAC Name: azanium 3-carboxy-3,5-dihydroxy-5-oxopentanoate
SYSTEMATIC NAME: azanium 3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C6H11NO7
MOLECULAR WEIGHT: 209.15404
SMILES: C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O.[NH4+]
Structure:
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