CAS RN: 52418-07-2
CAS Name: 3-hydroxybenzoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester
OPENEYE Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxybenzoate
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxybenzoate
SYSTEMATIC NAME: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-oxidanylbenzoate
MOLECULAR FORMULA: C15H19NO3
MOLECULAR WEIGHT: 261.31626
SMILES: CN1C2CCC1CC(C2)OC(=O)C3=CC(=CC=C3)O
Structure:
CAS RN: 21025-47-8
CAS Name: 2-(1-azepanyl)-5-methyl-5-nitro-1,3,2$l^{5}-dioxaphosphorinane 2-oxide
OPENEYE Name: 2-(azepan-1-yl)-5-methyl-5-nitro-1,3,2$l^{5}-dioxaphosphinane 2-oxide
IUPAC Name: 2-(azepan-1-yl)-5-methyl-5-nitro-1,3,2$l^{5}-dioxaphosphinane 2-oxide
SYSTEMATIC NAME: 2-(azepan-1-yl)-5-methyl-5-nitro-1,3,2$l^{5}-dioxaphosphinane 2-oxide
MOLECULAR FORMULA: C10H19N2O5P
MOLECULAR WEIGHT: 278.242021
SMILES: CC1(COP(=O)(OC1)N2CCCCCC2)[N+](=O)[O-]
Structure:
CAS RN: 148044-31-9
CAS Name: 1,3-bis[(4-methoxyphenyl)methyl]-2-(1-piperidinyl)-1,3,2$l^{5}-diazaphosphorinane 2-oxide
OPENEYE Name: 1,3-bis[(4-methoxyphenyl)methyl]-2-(1-piperidyl)-1,3,2$l^{5}-diazaphosphinane 2-oxide
IUPAC Name: 1,3-bis[(4-methoxyphenyl)methyl]-2-piperidin-1-yl-1,3,2$l^{5}-diazaphosphinane 2-oxide
SYSTEMATIC NAME: 1,3-bis[(4-methoxyphenyl)methyl]-2-piperidin-1-yl-1,3,2$l^{5}-diazaphosphinane 2-oxide
MOLECULAR FORMULA: C24H34N3O3P
MOLECULAR WEIGHT: 443.518821
SMILES: COC1=CC=C(C=C1)CN2CCCN(P2(=O)N3CCCCC3)CC4=CC=C(C=C4)OC
Structure:
CAS RN: 21036-67-9
CAS Name: 2-(1-aziridinyl)-5-methyl-5-nitro-1,3,2$l^{5}-dioxaphosphorinane 2-oxide
OPENEYE Name: 2-(aziridin-1-yl)-5-methyl-5-nitro-1,3,2$l^{5}-dioxaphosphinane 2-oxide
IUPAC Name: 2-(aziridin-1-yl)-5-methyl-5-nitro-1,3,2$l^{5}-dioxaphosphinane 2-oxide
SYSTEMATIC NAME: 2-(aziridin-1-yl)-5-methyl-5-nitro-1,3,2$l^{5}-dioxaphosphinane 2-oxide
MOLECULAR FORMULA: C6H11N2O5P
MOLECULAR WEIGHT: 222.135701
SMILES: CC1(COP(=O)(OC1)N2CC2)[N+](=O)[O-]
Structure:
CAS RN: 20926-56-1
CAS Name: N,N-bis(2-chloroethyl)-5-methyl-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-2-amine
OPENEYE Name: N,N-bis(2-chloroethyl)-5-methyl-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-amine
IUPAC Name: N,N-bis(2-chloroethyl)-5-methyl-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-amine
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-5-methyl-5-nitro-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-amine
MOLECULAR FORMULA: C8H15Cl2N2O5P
MOLECULAR WEIGHT: 321.094861
SMILES: CC1(COP(=O)(OC1)N(CCCl)CCCl)[N+](=O)[O-]
Structure:
CAS RN: 51309-24-1
CAS Name: N,N-bis(2-chloroethyl)-5-methyl-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-2-amine
OPENEYE Name: N,N-bis(2-chloroethyl)-5-methyl-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-amine
IUPAC Name: N,N-bis(2-chloroethyl)-5-methyl-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-amine
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-5-methyl-5-nitro-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-amine
MOLECULAR FORMULA: C8H15Cl2N2O5P
MOLECULAR WEIGHT: 321.094861
SMILES: CC1(COP(=O)(OC1)N(CCCl)CCCl)[N+](=O)[O-]
Structure:
CAS RN: 271-70-5
CAS Name: 7H-pyrrolo[2,3-d]pyrimidine
OPENEYE Name: 7H-pyrrolo[2,3-d]pyrimidine
IUPAC Name: 7H-pyrrolo[2,3-d]pyrimidine
SYSTEMATIC NAME: 7H-pyrrolo[2,3-d]pyrimidine
MOLECULAR FORMULA: C6H5N3
MOLECULAR WEIGHT: 119.124
SMILES: C1=CNC2=NC=NC=C21
Structure:
CAS RN: 14246-80-1
CAS Name: cyclohex-4-ene-1,2-dicarbohydrazide
OPENEYE Name: cyclohex-4-ene-1,2-dicarbohydrazide
IUPAC Name: cyclohex-4-ene-1,2-dicarbohydrazide
SYSTEMATIC NAME: cyclohex-4-ene-1,2-dicarbohydrazide
MOLECULAR FORMULA: C8H14N4O2
MOLECULAR WEIGHT: 198.22236
SMILES: C1C=CCC(C1C(=O)NN)C(=O)NN
Structure:
CAS RN: 17321-20-9
CAS Name: 3-chloro-6-ethoxypyridazine
OPENEYE Name: 3-chloro-6-ethoxy-pyridazine
IUPAC Name: 3-chloro-6-ethoxypyridazine
SYSTEMATIC NAME: 3-chloranyl-6-ethoxy-pyridazine
MOLECULAR FORMULA: C6H7ClN2O
MOLECULAR WEIGHT: 158.58558
SMILES: CCOC1=NN=C(C=C1)Cl
Structure:
CAS RN: 6995-12-6
CAS Name: 3-methyl-2-butenoic acid [(3aS,4R,5S,5aS,8aR,9R,9aS)-4-hydroxy-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] ester
OPENEYE Name: [(3aS,4R,5S,5aS,8aR,9R,9aS)-4-hydroxy-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate
IUPAC Name: [(3aS,4R,5S,5aS,8aR,9R,9aS)-4-hydroxy-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate
SYSTEMATIC NAME: [(3aS,4R,5S,5aS,8aR,9R,9aS)-5,8a-dimethyl-1-methylidene-4-oxidanyl-2,8-bis(oxidanylidene)-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate
MOLECULAR FORMULA: C20H24O6
MOLECULAR WEIGHT: 360.40096
SMILES: C[C@H]1[C@@H]2C=CC(=O)[C@]2([C@@H]([C@H]3[C@@H]([C@@H]1O)OC(=O)C3=C)OC(=O)C=C(C)C)C
Structure:
CAS RN: 13116-38-6
CAS Name: 2-(6-aminopurin-9-yl)-5-methyl-3-oxolanol
OPENEYE Name: 2-(6-aminopurin-9-yl)-5-methyl-tetrahydrofuran-3-ol
IUPAC Name: 2-(6-aminopurin-9-yl)-5-methyloxolan-3-ol
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)-5-methyl-oxolan-3-ol
MOLECULAR FORMULA: C10H13N5O2
MOLECULAR WEIGHT: 235.24252
SMILES: CC1CC(C(O1)N2C=NC3=C2N=CN=C3N)O
Structure:
CAS RN: 15507-52-5
CAS Name: carbonic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] methyl ester
OPENEYE Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] methyl carbonate
IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] methyl carbonate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] methyl carbonate
MOLECULAR FORMULA: C29H48O3
MOLECULAR WEIGHT: 444.68962
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)OC)C)C
Structure:
CAS RN: 47230-38-6
CAS Name: 4-(4-ethoxycarbonylphenyl)benzoic acid ethyl ester
OPENEYE Name: ethyl 4-(4-ethoxycarbonylphenyl)benzoate
IUPAC Name: ethyl 4-(4-ethoxycarbonylphenyl)benzoate
SYSTEMATIC NAME: ethyl 4-(4-ethoxycarbonylphenyl)benzoate
MOLECULAR FORMULA: C18H18O4
MOLECULAR WEIGHT: 298.33312
SMILES: CCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC
Structure:
CAS RN: 5959-79-5
CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-(1H-imidazol-5-yl)propanoic acid
OPENEYE Name: 2-(1,3-dioxoisoindolin-2-yl)-3-(1H-imidazol-5-yl)propanoic acid
IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)propanoic acid
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid
MOLECULAR FORMULA: C14H11N3O4
MOLECULAR WEIGHT: 285.25484
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CN=CN3)C(=O)O
Structure:
CAS RN: 40143-27-9
CAS Name: 4-phenylbenzaldehyde oxime
OPENEYE Name: 4-phenylbenzaldehyde oxime
IUPAC Name: N-[(4-phenylphenyl)methylidene]hydroxylamine
SYSTEMATIC NAME: N-[(4-phenylphenyl)methylidene]hydroxylamine
MOLECULAR FORMULA: C13H11NO
MOLECULAR WEIGHT: 197.23254
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C=NO
Structure:
CAS RN: 1500-83-0
CAS Name: 1-(4-fluorophenyl)-1-cyclohexanol
OPENEYE Name: 1-(4-fluorophenyl)cyclohexanol
IUPAC Name: 1-(4-fluorophenyl)cyclohexan-1-ol
SYSTEMATIC NAME: 1-(4-fluorophenyl)cyclohexan-1-ol
MOLECULAR FORMULA: C12H15FO
MOLECULAR WEIGHT: 194.245303
SMILES: C1CCC(CC1)(C2=CC=C(C=C2)F)O
Structure:
CAS RN: 10262-39-2
CAS Name: 1,3-bis(4-morpholinyl)propane-1,3-dione
OPENEYE Name: 1,3-dimorpholinopropane-1,3-dione
IUPAC Name: 1,3-dimorpholin-4-ylpropane-1,3-dione
SYSTEMATIC NAME: 1,3-dimorpholin-4-ylpropane-1,3-dione
MOLECULAR FORMULA: C11H18N2O4
MOLECULAR WEIGHT: 242.27162
SMILES: C1COCCN1C(=O)CC(=O)N2CCOCC2
Structure:
CAS RN: 21881-77-6
CAS Name: 1-(4-bromophenyl)-2,2,2-trichloroethanol
OPENEYE Name: 1-(4-bromophenyl)-2,2,2-trichloro-ethanol
IUPAC Name: 1-(4-bromophenyl)-2,2,2-trichloroethanol
SYSTEMATIC NAME: 1-(4-bromophenyl)-2,2,2-tris(chloranyl)ethanol
MOLECULAR FORMULA: C8H6BrCl3O
MOLECULAR WEIGHT: 304.39564
SMILES: C1=CC(=CC=C1C(C(Cl)(Cl)Cl)O)Br
Structure:
CAS RN: 2843-27-8
CAS Name: N-(2-hydroxyphenyl)formamide
OPENEYE Name: N-(2-hydroxyphenyl)formamide
IUPAC Name: N-(2-hydroxyphenyl)formamide
SYSTEMATIC NAME: N-(2-hydroxyphenyl)methanamide
MOLECULAR FORMULA: C7H7NO2
MOLECULAR WEIGHT: 137.13598
SMILES: C1=CC=C(C(=C1)NC=O)O
Structure:
CAS RN: 123-45-5
CAS Name: 2-(carboxymethylsulfonyl)acetic acid
OPENEYE Name: 2-(carboxymethylsulfonyl)acetic acid
IUPAC Name: 2-(carboxymethylsulfonyl)acetic acid
SYSTEMATIC NAME: 2-(2-hydroxy-2-oxoethylsulfonyl)ethanoic acid
MOLECULAR FORMULA: C4H6O6S
MOLECULAR WEIGHT: 182.15184
SMILES: C(C(=O)O)S(=O)(=O)CC(=O)O
Structure:
CAS RN: 1852-50-2
CAS Name: 6-[(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl)oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: 6-[(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: 6-[(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: 6-[[13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C24H32O9
MOLECULAR WEIGHT: 464.50548
SMILES: CC12CCC3C(C1CC(C2O)OC4C(C(C(C(O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O
Structure:
CAS RN: 52893-00-2
CAS Name: 7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester
OPENEYE Name: ethyl 7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
IUPAC Name: ethyl 7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C8H8N4O3
MOLECULAR WEIGHT: 208.17412
SMILES: CCOC(=O)C1=CN=C2N=CNN2C1=O
Structure:
CAS RN: 886-86-2
CAS Name: 3-aminobenzoic acid ethyl ester; methanesulfonic acid
OPENEYE Name: ethyl 3-aminobenzoate; methanesulfonic acid
IUPAC Name: ethyl 3-aminobenzoate; methanesulfonic acid
SYSTEMATIC NAME: ethyl 3-azanylbenzoate; methanesulfonic acid
MOLECULAR FORMULA: C10H15NO5S
MOLECULAR WEIGHT: 261.2948
SMILES: CCOC(=O)C1=CC(=CC=C1)N.CS(=O)(=O)O
Structure:
CAS RN: 19350-66-4
CAS Name: 1-(2,4-dinitrophenyl)-1-methylhydrazine
OPENEYE Name: 1-(2,4-dinitrophenyl)-1-methyl-hydrazine
IUPAC Name: 1-(2,4-dinitrophenyl)-1-methylhydrazine
SYSTEMATIC NAME: 1-(2,4-dinitrophenyl)-1-methyl-diazane
MOLECULAR FORMULA: C7H8N4O4
MOLECULAR WEIGHT: 212.16282
SMILES: CN(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])N
Structure:
CAS RN: 546-80-5
CAS Name: (1R,2R,5S)-2-methyl-5-propan-2-yl-3-bicyclo[3.1.0]hexanone
OPENEYE Name: (1R,2R,5S)-5-isopropyl-2-methyl-bicyclo[3.1.0]hexan-3-one
IUPAC Name: (1R,2R,5S)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-3-one
SYSTEMATIC NAME: (1R,2R,5S)-2-methyl-5-propan-2-yl-bicyclo[3.1.0]hexan-3-one
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: C[C@@H]1[C@H]2C[C@]2(CC1=O)C(C)C
Structure:
CAS RN: 59573-80-7
CAS Name: (1R,2R,5S)-2-methyl-5-propan-2-yl-3-bicyclo[3.1.0]hexanone
OPENEYE Name: (1R,2R,5S)-5-isopropyl-2-methyl-bicyclo[3.1.0]hexan-3-one
IUPAC Name: (1R,2R,5S)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-3-one
SYSTEMATIC NAME: (1R,2R,5S)-2-methyl-5-propan-2-yl-bicyclo[3.1.0]hexan-3-one
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: C[C@@H]1[C@H]2C[C@]2(CC1=O)C(C)C
Structure:
CAS RN: 28164-39-8
CAS Name: 2-bromo-4-(1-indenylidenemethyl)-N,N-dimethylaniline
OPENEYE Name: 2-bromo-4-(inden-1-ylidenemethyl)-N,N-dimethyl-aniline
IUPAC Name: 2-bromo-4-(inden-1-ylidenemethyl)-N,N-dimethylaniline
SYSTEMATIC NAME: 2-bromanyl-4-(inden-1-ylidenemethyl)-N,N-dimethyl-aniline
MOLECULAR FORMULA: C18H16BrN
MOLECULAR WEIGHT: 326.23034
SMILES: CN(C)C1=C(C=C(C=C1)C=C2C=CC3=CC=CC=C32)Br
Structure:
CAS RN: 52003-32-4
CAS Name: 2-(3,4,5-trimethylphenyl)acetic acid
OPENEYE Name: 2-(3,4,5-trimethylphenyl)acetic acid
IUPAC Name: 2-(3,4,5-trimethylphenyl)acetic acid
SYSTEMATIC NAME: 2-(3,4,5-trimethylphenyl)ethanoic acid
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC1=CC(=CC(=C1C)C)CC(=O)O
Structure:
CAS RN: 92403-06-0
CAS Name: 1,2-dimethyl-2,5-dihydro-1$l^{5}-phosphole 1-oxide
OPENEYE Name: 1,2-dimethyl-2,5-dihydro-1$l^{5}-phosphole 1-oxide
IUPAC Name: 1,2-dimethyl-2,5-dihydro-1$l^{5}-phosphole 1-oxide
SYSTEMATIC NAME: 1,2-dimethyl-2,5-dihydro-1$l^{5}-phosphole 1-oxide
MOLECULAR FORMULA: C6H11OP
MOLECULAR WEIGHT: 130.124701
SMILES: CC1C=CCP1(=O)C
Structure:
CAS RN: 7144-02-7
CAS Name: 1,2,3,4-tetrahydropyridine-5-carboxamide
OPENEYE Name: 1,2,3,4-tetrahydropyridine-5-carboxamide
IUPAC Name: 1,2,3,4-tetrahydropyridine-5-carboxamide
SYSTEMATIC NAME: 1,2,3,4-tetrahydropyridine-5-carboxamide
MOLECULAR FORMULA: C6H10N2O
MOLECULAR WEIGHT: 126.1564
SMILES: C1CC(=CNC1)C(=O)N
Structure:
CAS RN: 34341-05-4
CAS Name: 4-[4-[cyclohexyl(methyl)amino]azophenyl]butanoic acid ethyl ester
OPENEYE Name: ethyl 4-[4-[cyclohexyl(methyl)amino]azophenyl]butanoate
IUPAC Name: ethyl 4-[4-[[cyclohexyl(methyl)amino]diazenyl]phenyl]butanoate
SYSTEMATIC NAME: ethyl 4-[4-[[cyclohexyl(methyl)amino]diazenyl]phenyl]butanoate
MOLECULAR FORMULA: C19H29N3O2
MOLECULAR WEIGHT: 331.45246
SMILES: CCOC(=O)CCCC1=CC=C(C=C1)N=NN(C)C2CCCCC2
Structure:
CAS RN: 139232-80-7
CAS Name: 1-[4-chloro-2-[[(2-chloroethylamino)-oxomethyl]amino]phenyl]-3-(2-chloroethyl)urea
OPENEYE Name: 1-[4-chloro-2-(2-chloroethylcarbamoylamino)phenyl]-3-(2-chloroethyl)urea
IUPAC Name: 1-[4-chloro-2-(2-chloroethylcarbamoylamino)phenyl]-3-(2-chloroethyl)urea
SYSTEMATIC NAME: 1-[4-chloranyl-2-(2-chloroethylcarbamoylamino)phenyl]-3-(2-chloroethyl)urea
MOLECULAR FORMULA: C12H15Cl3N4O2
MOLECULAR WEIGHT: 353.6321
SMILES: C1=CC(=C(C=C1Cl)NC(=O)NCCCl)NC(=O)NCCCl
Structure:
CAS RN: 13908-66-2
CAS Name: 1-[4-chloro-2-[[(2-chloroethylamino)-oxomethyl]amino]phenyl]-3-(2-chloroethyl)urea
OPENEYE Name: 1-[4-chloro-2-(2-chloroethylcarbamoylamino)phenyl]-3-(2-chloroethyl)urea
IUPAC Name: 1-[4-chloro-2-(2-chloroethylcarbamoylamino)phenyl]-3-(2-chloroethyl)urea
SYSTEMATIC NAME: 1-[4-chloranyl-2-(2-chloroethylcarbamoylamino)phenyl]-3-(2-chloroethyl)urea
MOLECULAR FORMULA: C12H15Cl3N4O2
MOLECULAR WEIGHT: 353.6321
SMILES: C1=CC(=C(C=C1Cl)NC(=O)NCCCl)NC(=O)NCCCl
Structure:
CAS RN: 13910-11-7
CAS Name: 1-(2-chloroethyl)-3-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]urea
OPENEYE Name: 1-(2-chloroethyl)-3-[(3R,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]urea
IUPAC Name: 1-(2-chloroethyl)-3-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]urea
MOLECULAR FORMULA: C30H53ClN2O
MOLECULAR WEIGHT: 493.20762
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)NC(=O)NCCCl)C)C
Structure:
CAS RN: 46911-49-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H29FO3
MOLECULAR WEIGHT: 348.451563
SMILES: CC(=O)O[C@H]1CCC2=C(C1)CC(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)F
Structure:
CAS RN: 103602-79-5
CAS Name: 1-(1-isoquinolinyl)-2-methylsulfinyl-1-phenylethanol
OPENEYE Name: 1-(1-isoquinolyl)-2-methylsulfinyl-1-phenyl-ethanol
IUPAC Name: 1-isoquinolin-1-yl-2-methylsulfinyl-1-phenylethanol
SYSTEMATIC NAME: 1-isoquinolin-1-yl-2-methylsulfinyl-1-phenyl-ethanol
MOLECULAR FORMULA: C18H17NO2S
MOLECULAR WEIGHT: 311.39808
SMILES: CS(=O)CC(C1=CC=CC=C1)(C2=NC=CC3=CC=CC=C32)O
Structure:
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