CAS RN: 24333-19-5
CAS Name: 2-(2,5-dimethoxy-4-methylphenyl)ethanamine
OPENEYE Name: 2-(2,5-dimethoxy-4-methyl-phenyl)ethanamine
IUPAC Name: 2-(2,5-dimethoxy-4-methylphenyl)ethanamine
SYSTEMATIC NAME: 2-(2,5-dimethoxy-4-methyl-phenyl)ethanamine
MOLECULAR FORMULA: C11H17NO2
MOLECULAR WEIGHT: 195.25818
SMILES: CC1=CC(=C(C=C1OC)CCN)OC
Structure:
CAS RN: 25505-65-1
CAS Name: 2-(2,5-dimethoxy-4-methylphenyl)ethanamine hydrochloride
OPENEYE Name: 2-(2,5-dimethoxy-4-methyl-phenyl)ethanamine hydrochloride
IUPAC Name: 2-(2,5-dimethoxy-4-methylphenyl)ethanamine hydrochloride
SYSTEMATIC NAME: 2-(2,5-dimethoxy-4-methyl-phenyl)ethanamine hydrochloride
MOLECULAR FORMULA: C11H18ClNO2
MOLECULAR WEIGHT: 231.71912
SMILES: CC1=CC(=C(C=C1OC)CCN)OC.Cl
Structure:
CAS RN: 25635-67-0
CAS Name: 1-[bis(1-aziridinyl)phosphoryl]-3-(4-iodophenyl)urea
OPENEYE Name: 1-[bis(aziridin-1-yl)phosphoryl]-3-(4-iodophenyl)urea
IUPAC Name: 1-[bis(aziridin-1-yl)phosphoryl]-3-(4-iodophenyl)urea
SYSTEMATIC NAME: 1-[bis(aziridin-1-yl)phosphoryl]-3-(4-iodophenyl)urea
MOLECULAR FORMULA: C11H14IN4O2P
MOLECULAR WEIGHT: 392.132691
SMILES: C1CN1P(=O)(NC(=O)NC2=CC=C(C=C2)I)N3CC3
Structure:
CAS RN: 25635-65-8
CAS Name: 1-[bis(1-aziridinyl)phosphoryl]-3-(4-methyl-3-nitrophenyl)urea
OPENEYE Name: 1-[bis(aziridin-1-yl)phosphoryl]-3-(4-methyl-3-nitro-phenyl)urea
IUPAC Name: 1-[bis(aziridin-1-yl)phosphoryl]-3-(4-methyl-3-nitrophenyl)urea
SYSTEMATIC NAME: 1-[bis(aziridin-1-yl)phosphoryl]-3-(4-methyl-3-nitro-phenyl)urea
MOLECULAR FORMULA: C12H16N5O4P
MOLECULAR WEIGHT: 325.260301
SMILES: CC1=C(C=C(C=C1)NC(=O)NP(=O)(N2CC2)N3CC3)[N+](=O)[O-]
Structure:
CAS RN: 24903-46-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H13N
MOLECULAR WEIGHT: 279.33462
SMILES: C1=CC=C2C(=C1)C=CC3=CC4=C(C=C32)C5=C(C=C4)C=CN=C5
Structure:
CAS RN: 24903-48-8
CAS Name: phenanthro[3,2-h]isoquinoline
OPENEYE Name: phenanthro[3,2-h]isoquinoline
IUPAC Name: phenanthro[3,2-h]isoquinoline
SYSTEMATIC NAME: phenanthro[3,2-h]isoquinoline
MOLECULAR FORMULA: C21H13N
MOLECULAR WEIGHT: 279.33462
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC5=C(C4=C3)C=NC=C5
Structure:
CAS RN: 24603-71-2
CAS Name: 1-hydroxy-1,3-dimethylurea
OPENEYE Name: 1-hydroxy-1,3-dimethyl-urea
IUPAC Name: 1-hydroxy-1,3-dimethylurea
SYSTEMATIC NAME: 1,3-dimethyl-1-oxidanyl-urea
MOLECULAR FORMULA: C3H8N2O2
MOLECULAR WEIGHT: 104.10782
SMILES: CNC(=O)N(C)O
Structure:
CAS RN: 24590-49-6
CAS Name: methanesulfonic acid 1-hydroxypropan-2-yl ester
OPENEYE Name: (2-hydroxy-1-methyl-ethyl) methanesulfonate
IUPAC Name: 1-hydroxypropan-2-yl methanesulfonate
SYSTEMATIC NAME: 1-oxidanylpropan-2-yl methanesulfonate
MOLECULAR FORMULA: C4H10O4S
MOLECULAR WEIGHT: 154.1848
SMILES: CC(CO)OS(=O)(=O)C
Structure:
CAS RN: 111317-36-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H10N4O
MOLECULAR WEIGHT: 226.234
SMILES: CC(=O)NC1=NC2=C(C=C1)N=C3N2C=CC=C3
Structure:
CAS RN: 110933-26-1
CAS Name: (2,3,3-trimethyl-2-oxiranyl)methanol
OPENEYE Name: (2,3,3-trimethyloxiran-2-yl)methanol
IUPAC Name: (2,3,3-trimethyloxiran-2-yl)methanol
SYSTEMATIC NAME: (2,3,3-trimethyloxiran-2-yl)methanol
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CC1(C(O1)(C)CO)C
Structure:
CAS RN: 111279-37-9
CAS Name: 9-ethyl-6,8-difluoro-7-(1-piperazinyl)isothiazolo[5,4-b]quinoline-3,4-dione
OPENEYE Name: 9-ethyl-6,8-difluoro-7-piperazin-1-yl-isothiazolo[5,4-b]quinoline-3,4-dione
IUPAC Name: 9-ethyl-6,8-difluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SYSTEMATIC NAME: 9-ethyl-6,8-bis(fluoranyl)-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
MOLECULAR FORMULA: C16H16F2N4O2S
MOLECULAR WEIGHT: 366.385646
SMILES: CCN1C2=C(C(=C(C=C2C(=O)C3=C1SNC3=O)F)N4CCNCC4)F
Structure:
CAS RN: 110786-18-0
CAS Name: benzoic acid (2-nitrophenyl)methyl ester
OPENEYE Name: (2-nitrophenyl)methyl benzoate
IUPAC Name: (2-nitrophenyl)methyl benzoate
SYSTEMATIC NAME: (2-nitrophenyl)methyl benzoate
MOLECULAR FORMULA: C14H11NO4
MOLECULAR WEIGHT: 257.24144
SMILES: C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-]
Structure:
CAS RN: 110682-10-5
CAS Name: acetic acid (6-nitro-3-benzo[a]pyrenyl) ester
OPENEYE Name: (6-nitrobenzo[a]pyren-3-yl) acetate
IUPAC Name: (6-nitrobenzo[a]pyren-3-yl) acetate
SYSTEMATIC NAME: (6-nitrobenzo[a]pyren-3-yl) ethanoate
MOLECULAR FORMULA: C22H13NO4
MOLECULAR WEIGHT: 355.34292
SMILES: CC(=O)OC1=C2C=CC3=C(C4=CC=CC=C4C5=C3C2=C(C=C5)C=C1)[N+](=O)[O-]
Structure:
CAS RN: 110559-85-8
CAS Name: 3-(2-chloroethyl)-1-nitroso-1-(2-oxopropyl)urea
OPENEYE Name: 1-acetonyl-3-(2-chloroethyl)-1-nitroso-urea
IUPAC Name: 3-(2-chloroethyl)-1-nitroso-1-(2-oxopropyl)urea
SYSTEMATIC NAME: 3-(2-chloroethyl)-1-nitroso-1-(2-oxidanylidenepropyl)urea
MOLECULAR FORMULA: C6H10ClN3O3
MOLECULAR WEIGHT: 207.6149
SMILES: CC(=O)CN(C(=O)NCCCl)N=O
Structure:
CAS RN: 110520-17-7
CAS Name: phenanthro[9,10-g]isoquinoline
OPENEYE Name: phenanthro[9,10-g]isoquinoline
IUPAC Name: phenanthro[9,10-g]isoquinoline
SYSTEMATIC NAME: phenanthro[9,10-g]isoquinoline
MOLECULAR FORMULA: C21H13N
MOLECULAR WEIGHT: 279.33462
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C=C5C=CN=CC5=C4
Structure:
CAS RN: 110419-21-1
CAS Name: 1,3-dinitrofluoranthene
OPENEYE Name: 1,3-dinitrofluoranthene
IUPAC Name: 1,3-dinitrofluoranthene
SYSTEMATIC NAME: 1,3-dinitrofluoranthene
MOLECULAR FORMULA: C16H8N2O4
MOLECULAR WEIGHT: 292.24572
SMILES: C1=CC=C2C(=C1)C3=CC=CC4=C3C2=C(C=C4[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 110408-52-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H13NO
MOLECULAR WEIGHT: 283.32332
SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C(N3)C=CC5=C4C(=CC=C5)O
Structure:
CAS RN: 109971-64-4
CAS Name: 3-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2-diol
OPENEYE Name: 3-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2-diol
IUPAC Name: 3-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2-diol
SYSTEMATIC NAME: 3-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2-diol
MOLECULAR FORMULA: C18H22O6
MOLECULAR WEIGHT: 334.36368
SMILES: COC1=C(C(=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC)O)O
Structure:
CAS RN: 110011-79-5
CAS Name: 9-amino-4-iodo-3-fluoranthenesulfonic acid
OPENEYE Name: 9-amino-4-iodo-fluoranthene-3-sulfonic acid
IUPAC Name: 9-amino-4-iodofluoranthene-3-sulfonic acid
SYSTEMATIC NAME: 9-azanyl-4-iodanyl-fluoranthene-3-sulfonic acid
MOLECULAR FORMULA: C16H10INO3S
MOLECULAR WEIGHT: 423.22497
SMILES: C1=CC2=C(C=C1N)C3=C4C2=CC=C(C4=C(C=C3)S(=O)(=O)O)I
Structure:
CAS RN: 109884-00-6
CAS Name: (3aS,8aS)-2,2-dimethyl-8-methylene-1,3,3a,8a-tetrahydroazulene-5,6-dicarboxaldehyde
OPENEYE Name: (3aS,8aS)-2,2-dimethyl-8-methylene-1,3,3a,8a-tetrahydroazulene-5,6-dicarbaldehyde
IUPAC Name: (3aS,8aS)-2,2-dimethyl-8-methylidene-1,3,3a,8a-tetrahydroazulene-5,6-dicarbaldehyde
SYSTEMATIC NAME: (3aS,8aS)-2,2-dimethyl-8-methylidene-1,3,3a,8a-tetrahydroazulene-5,6-dicarbaldehyde
MOLECULAR FORMULA: C15H18O2
MOLECULAR WEIGHT: 230.30222
SMILES: CC1(C[C@H]2C=C(C(=CC(=C)[C@H]2C1)C=O)C=O)C
Structure:
CAS RN: 109241-56-7
CAS Name: N'-chlorobutane-1,4-diamine
OPENEYE Name: N'-chlorobutane-1,4-diamine
IUPAC Name: N'-chlorobutane-1,4-diamine
SYSTEMATIC NAME: N'-chloranylbutane-1,4-diamine
MOLECULAR FORMULA: C4H11ClN2
MOLECULAR WEIGHT: 122.59654
SMILES: C(CCNCl)CN
Structure:
CAS RN: 109241-55-6
CAS Name: N,N'-dichlorobutane-1,4-diamine
OPENEYE Name: N,N'-dichlorobutane-1,4-diamine
IUPAC Name: N,N'-dichlorobutane-1,4-diamine
SYSTEMATIC NAME: N,N'-bis(chloranyl)butane-1,4-diamine
MOLECULAR FORMULA: C4H10Cl2N2
MOLECULAR WEIGHT: 157.0416
SMILES: C(CCNCl)CNCl
Structure:
CAS RN: 109241-54-5
CAS Name: N-chloro-2-(1H-imidazol-5-yl)ethanamine
OPENEYE Name: N-chloro-2-(1H-imidazol-5-yl)ethanamine
IUPAC Name: N-chloro-2-(1H-imidazol-5-yl)ethanamine
SYSTEMATIC NAME: N-chloranyl-2-(1H-imidazol-5-yl)ethanamine
MOLECULAR FORMULA: C5H8ClN3
MOLECULAR WEIGHT: 145.59012
SMILES: C1=C(NC=N1)CCNCl
Structure:
CAS RN: 108278-75-7
CAS Name: 4-[carbamoyl(nitroso)amino]butanoic acid methyl ester
OPENEYE Name: methyl 4-[carbamoyl(nitroso)amino]butanoate
IUPAC Name: methyl 4-[carbamoyl(nitroso)amino]butanoate
SYSTEMATIC NAME: methyl 4-[aminocarbonyl(nitroso)amino]butanoate
MOLECULAR FORMULA: C6H11N3O4
MOLECULAR WEIGHT: 189.16924
SMILES: COC(=O)CCCN(C(=O)N)N=O
Structure:
CAS RN: 108392-53-6
CAS Name: N-butyl-N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]nitrous amide
OPENEYE Name: N-butyl-N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]nitrous amide
IUPAC Name: N-butyl-N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]nitrous amide
SYSTEMATIC NAME: N-butyl-N-[(2S)-2-(4-hydroxyphenyl)-2-oxidanyl-ethyl]nitrous amide
MOLECULAR FORMULA: C12H18N2O3
MOLECULAR WEIGHT: 238.28292
SMILES: CCCCN(C[C@H](C1=CC=C(C=C1)O)O)N=O
Structure:
CAS RN: 108333-73-9
CAS Name: 4-[(1S)-2-[butyl(nitroso)amino]-1-hydroxyethyl]-2-diazoniophenolate
OPENEYE Name: 4-[(1S)-2-[butyl(nitroso)amino]-1-hydroxy-ethyl]-2-diazonio-phenolate
IUPAC Name: 4-[(1S)-2-[butyl(nitroso)amino]-1-hydroxyethyl]-2-diazoniophenolate
SYSTEMATIC NAME: 4-[(1S)-2-[butyl(nitroso)amino]-1-oxidanyl-ethyl]-2-diazonio-phenolate
MOLECULAR FORMULA: C12H16N4O3
MOLECULAR WEIGHT: 264.28044
SMILES: CCCCN(C[C@H](C1=CC(=C(C=C1)[O-])[N+]#N)O)N=O
Structure:
CAS RN: 116549-74-7
CAS Name: 4-[(1S)-2-[butyl(nitroso)amino]-1-hydroxyethyl]-2-diazoniophenolate
OPENEYE Name: 4-[(1S)-2-[butyl(nitroso)amino]-1-hydroxy-ethyl]-2-diazonio-phenolate
IUPAC Name: 4-[(1S)-2-[butyl(nitroso)amino]-1-hydroxyethyl]-2-diazoniophenolate
SYSTEMATIC NAME: 4-[(1S)-2-[butyl(nitroso)amino]-1-oxidanyl-ethyl]-2-diazonio-phenolate
MOLECULAR FORMULA: C12H16N4O3
MOLECULAR WEIGHT: 264.28044
SMILES: CCCCN(C[C@H](C1=CC(=C(C=C1)[O-])[N+]#N)O)N=O
Structure:
CAS RN: 108283-47-2
CAS Name: (2S)-2-amino-3-azidopropanoic acid tert-butyl ester
OPENEYE Name: tert-butyl (2S)-2-amino-3-azido-propanoate
IUPAC Name: tert-butyl (2S)-2-amino-3-azidopropanoate
SYSTEMATIC NAME: tert-butyl (2S)-2-azanyl-3-azido-propanoate
MOLECULAR FORMULA: C7H14N4O2
MOLECULAR WEIGHT: 186.21166
SMILES: CC(C)(C)OC(=O)[C@H](CN=[N+]=[N-])N
Structure:
CAS RN: 108278-74-6
CAS Name: 3-[carbamoyl(nitroso)amino]propanoic acid methyl ester
OPENEYE Name: methyl 3-[carbamoyl(nitroso)amino]propanoate
IUPAC Name: methyl 3-[carbamoyl(nitroso)amino]propanoate
SYSTEMATIC NAME: methyl 3-[aminocarbonyl(nitroso)amino]propanoate
MOLECULAR FORMULA: C5H9N3O4
MOLECULAR WEIGHT: 175.14266
SMILES: COC(=O)CCN(C(=O)N)N=O
Structure:
CAS RN: 108577-14-6
CAS Name: N-[(1R,2R)-2-aminocyclohexyl]-4-bromobenzamide; methanesulfonic acid
OPENEYE Name: N-[(1R,2R)-2-aminocyclohexyl]-4-bromo-benzamide; methanesulfonic acid
IUPAC Name: N-[(1R,2R)-2-aminocyclohexyl]-4-bromobenzamide; methanesulfonic acid
SYSTEMATIC NAME: N-[(1R,2R)-2-azanylcyclohexyl]-4-bromanyl-benzamide; methanesulfonic acid
MOLECULAR FORMULA: C14H21BrN2O4S
MOLECULAR WEIGHT: 393.29654
SMILES: CS(=O)(=O)O.C1CC[C@H]([C@@H](C1)N)NC(=O)C2=CC=C(C=C2)Br
Structure:
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