CAS RN: 59837-20-6
CAS Name: 1-[5-(6-aminopurin-9-yl)-4-(ethylthio)-3-hydroxy-2-oxolanyl]ethane-1,2-diol
OPENEYE Name: 1-[5-(6-aminopurin-9-yl)-4-ethylsulfanyl-3-hydroxy-tetrahydrofuran-2-yl]ethane-1,2-diol
IUPAC Name: 1-[5-(6-aminopurin-9-yl)-4-ethylsulfanyl-3-hydroxyoxolan-2-yl]ethane-1,2-diol
SYSTEMATIC NAME: 1-[5-(6-aminopurin-9-yl)-4-ethylsulfanyl-3-oxidanyl-oxolan-2-yl]ethane-1,2-diol
MOLECULAR FORMULA: C13H19N5O4S
MOLECULAR WEIGHT: 341.38606
SMILES: CCSC1C(C(OC1N2C=NC3=C2N=CN=C3N)C(CO)O)O
Structure:
CAS RN: 50719-31-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26O3
MOLECULAR WEIGHT: 314.41864
SMILES: CC1(C2CCC34CC(C=C3)(C(=O)CC4C2(C=C(C1=O)O)C)C)C
Structure:
CAS RN: 35470-61-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: CC1(C2CCC34CC(C=C3)(C(=O)CC4C2(CC(=O)C1O)C)C)C
Structure:
CAS RN: 7596-60-3
CAS Name: 2-(2-bromo-5-methoxy-4-methylphenyl)acetic acid
OPENEYE Name: 2-(2-bromo-5-methoxy-4-methyl-phenyl)acetic acid
IUPAC Name: 2-(2-bromo-5-methoxy-4-methylphenyl)acetic acid
SYSTEMATIC NAME: 2-(2-bromanyl-5-methoxy-4-methyl-phenyl)ethanoic acid
MOLECULAR FORMULA: C10H11BrO3
MOLECULAR WEIGHT: 259.09654
SMILES: CC1=C(C=C(C(=C1)Br)CC(=O)O)OC
Structure:
CAS RN: 35982-88-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H16N2O5
MOLECULAR WEIGHT: 340.33004
SMILES: CC1=CC(=O)N2COC3=C2C1=CC4=C3N(C(=O)C=C4COC(=O)C)C
Structure:
CAS RN: 30408-32-3
CAS Name: 3-(4-methyl-2-oxo-1-quinolinyl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl 3-(4-methyl-2-oxo-1-quinolyl)prop-2-enoate
IUPAC Name: ethyl 3-(4-methyl-2-oxoquinolin-1-yl)prop-2-enoate
SYSTEMATIC NAME: ethyl 3-(4-methyl-2-oxidanylidene-quinolin-1-yl)prop-2-enoate
MOLECULAR FORMULA: C15H15NO3
MOLECULAR WEIGHT: 257.2845
SMILES: CCOC(=O)C=CN1C2=CC=CC=C2C(=CC1=O)C
Structure:
CAS RN: 3967-21-3
CAS Name: N-cyclohexylcyclohexanamine; 5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid
OPENEYE Name: 2-(benzyloxycarbonylamino)-5-tert-butoxy-5-oxo-pentanoic acid; N-cyclohexylcyclohexanamine
IUPAC Name: N-cyclohexylcyclohexanamine; 5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid
SYSTEMATIC NAME: N-cyclohexylcyclohexanamine; 5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid
MOLECULAR FORMULA: C29H46N2O6
MOLECULAR WEIGHT: 518.68534
SMILES: CC(C)(C)OC(=O)CCC(C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2
Structure:
CAS RN: 138935-52-1
CAS Name: 3-chloro-6-methyl-2-nitroaniline
OPENEYE Name: 3-chloro-6-methyl-2-nitro-aniline
IUPAC Name: 3-chloro-6-methyl-2-nitroaniline
SYSTEMATIC NAME: 3-chloranyl-6-methyl-2-nitro-aniline
MOLECULAR FORMULA: C7H7ClN2O2
MOLECULAR WEIGHT: 186.59568
SMILES: CC1=C(C(=C(C=C1)Cl)[N+](=O)[O-])N
Structure:
CAS RN: 13900-61-3
CAS Name: 1,4-dimethoxyphenazine
OPENEYE Name: 1,4-dimethoxyphenazine
IUPAC Name: 1,4-dimethoxyphenazine
SYSTEMATIC NAME: 1,4-dimethoxyphenazine
MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: COC1=CC=C(C2=NC3=CC=CC=C3N=C12)OC
Structure:
CAS RN: 22144-55-4
CAS Name: spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol
OPENEYE Name: spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol
IUPAC Name: spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol
SYSTEMATIC NAME: spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol
MOLECULAR FORMULA: C12H20O6
MOLECULAR WEIGHT: 260.2836
SMILES: C1CCC2(CC1)OC3C(C(C(C(C3O2)O)O)O)O
Structure:
CAS RN: 13191-40-7
CAS Name: N,N-dimethylcyclobutanecarboxamide
OPENEYE Name: N,N-dimethylcyclobutanecarboxamide
IUPAC Name: N,N-dimethylcyclobutanecarboxamide
SYSTEMATIC NAME: N,N-dimethylcyclobutanecarboxamide
MOLECULAR FORMULA: C7H13NO
MOLECULAR WEIGHT: 127.18422
SMILES: CN(C)C(=O)C1CCC1
Structure:
CAS RN: 60512-80-3
CAS Name: 1-(2,4-dimethoxy-3-methylphenyl)ethanone
OPENEYE Name: 1-(2,4-dimethoxy-3-methyl-phenyl)ethanone
IUPAC Name: 1-(2,4-dimethoxy-3-methylphenyl)ethanone
SYSTEMATIC NAME: 1-(2,4-dimethoxy-3-methyl-phenyl)ethanone
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: CC1=C(C=CC(=C1OC)C(=O)C)OC
Structure:
CAS RN: 4056-56-8
CAS Name: N-(4-oxo-1-cyclohexa-2,5-dienylidene)benzenesulfonamide
OPENEYE Name: N-(4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
IUPAC Name: N-(4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
SYSTEMATIC NAME: N-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
MOLECULAR FORMULA: C12H9NO3S
MOLECULAR WEIGHT: 247.26976
SMILES: C1=CC=C(C=C1)S(=O)(=O)N=C2C=CC(=O)C=C2
Structure:
CAS RN: 86030-08-2
CAS Name: 1-(benzenesulfonyl)-4-chloro-2-nitrobenzene
OPENEYE Name: 1-(benzenesulfonyl)-4-chloro-2-nitro-benzene
IUPAC Name: 1-(benzenesulfonyl)-4-chloro-2-nitrobenzene
SYSTEMATIC NAME: 4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene
MOLECULAR FORMULA: C12H8ClNO4S
MOLECULAR WEIGHT: 297.71422
SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]
Structure:
CAS RN: 6270-38-8
CAS Name: 1,3-bis(4-chlorophenyl)-5,6-dimethylisobenzofuran
OPENEYE Name: 1,3-bis(4-chlorophenyl)-5,6-dimethyl-isobenzofuran
IUPAC Name: 1,3-bis(4-chlorophenyl)-5,6-dimethyl-2-benzofuran
SYSTEMATIC NAME: 1,3-bis(4-chlorophenyl)-5,6-dimethyl-2-benzofuran
MOLECULAR FORMULA: C22H16Cl2O
MOLECULAR WEIGHT: 367.26784
SMILES: CC1=CC2=C(OC(=C2C=C1C)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 3070-65-3
CAS Name: 2-methylenebutanoic acid ethyl ester
OPENEYE Name: ethyl 2-methylenebutanoate
IUPAC Name: ethyl 2-methylidenebutanoate
SYSTEMATIC NAME: ethyl 2-methylidenebutanoate
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CCC(=C)C(=O)OCC
Structure:
CAS RN: 90521-82-7
CAS Name: 2-[bis[4-(dimethylamino)phenyl]methylidene]propanedinitrile
OPENEYE Name: 2-[bis[4-(dimethylamino)phenyl]methylene]propanedinitrile
IUPAC Name: 2-[bis[4-(dimethylamino)phenyl]methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[bis[4-(dimethylamino)phenyl]methylidene]propanedinitrile
MOLECULAR FORMULA: C20H20N4
MOLECULAR WEIGHT: 316.3996
SMILES: CN(C)C1=CC=C(C=C1)C(=C(C#N)C#N)C2=CC=C(C=C2)N(C)C
Structure:
CAS RN: 51264-69-8
CAS Name: 2-(4-formylphenoxy)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(4-formylphenoxy)acetate
IUPAC Name: ethyl 2-(4-formylphenoxy)acetate
SYSTEMATIC NAME: ethyl 2-(4-methanoylphenoxy)ethanoate
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: CCOC(=O)COC1=CC=C(C=C1)C=O
Structure:
CAS RN: 10338-57-5
CAS Name: 4-(1-piperidinyl)benzaldehyde
OPENEYE Name: 4-(1-piperidyl)benzaldehyde
IUPAC Name: 4-piperidin-1-ylbenzaldehyde
SYSTEMATIC NAME: 4-piperidin-1-ylbenzaldehyde
MOLECULAR FORMULA: C12H15NO
MOLECULAR WEIGHT: 189.2536
SMILES: C1CCN(CC1)C2=CC=C(C=C2)C=O
Structure:
CAS RN: 59935-39-6
CAS Name: 4-(dimethylamino)-3-nitrobenzaldehyde
OPENEYE Name: 4-(dimethylamino)-3-nitro-benzaldehyde
IUPAC Name: 4-(dimethylamino)-3-nitrobenzaldehyde
SYSTEMATIC NAME: 4-(dimethylamino)-3-nitro-benzaldehyde
MOLECULAR FORMULA: C9H10N2O3
MOLECULAR WEIGHT: 194.1873
SMILES: CN(C)C1=C(C=C(C=C1)C=O)[N+](=O)[O-]
Structure:
CAS RN: 84562-48-1
CAS Name: 4-(dimethylamino)-2-methoxybenzaldehyde
OPENEYE Name: 4-(dimethylamino)-2-methoxy-benzaldehyde
IUPAC Name: 4-(dimethylamino)-2-methoxybenzaldehyde
SYSTEMATIC NAME: 4-(dimethylamino)-2-methoxy-benzaldehyde
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: CN(C)C1=CC(=C(C=C1)C=O)OC
Structure:
CAS RN: 1204-86-0
CAS Name: 4-(4-morpholinyl)benzaldehyde
OPENEYE Name: 4-morpholinobenzaldehyde
IUPAC Name: 4-morpholin-4-ylbenzaldehyde
SYSTEMATIC NAME: 4-morpholin-4-ylbenzaldehyde
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: C1COCCN1C2=CC=C(C=C2)C=O
Structure:
CAS RN: 4132-61-0
CAS Name: 1,8-bis[(4-methoxyphenyl)thio]-9,10-dimethylanthracene-9,10-diol
OPENEYE Name: 1,8-bis[(4-methoxyphenyl)sulfanyl]-9,10-dimethyl-anthracene-9,10-diol
IUPAC Name: 1,8-bis[(4-methoxyphenyl)sulfanyl]-9,10-dimethylanthracene-9,10-diol
SYSTEMATIC NAME: 1,8-bis[(4-methoxyphenyl)sulfanyl]-9,10-dimethyl-anthracene-9,10-diol
MOLECULAR FORMULA: C30H28O4S2
MOLECULAR WEIGHT: 516.67092
SMILES: CC1(C2=C(C(=CC=C2)SC3=CC=C(C=C3)OC)C(C4=C1C=CC=C4SC5=CC=C(C=C5)OC)(C)O)O
Structure:
CAS RN: 41457-18-5
CAS Name: 1,8-bis[(4-methoxyphenyl)thio]anthracene-9,10-dione
OPENEYE Name: 1,8-bis[(4-methoxyphenyl)sulfanyl]anthracene-9,10-dione
IUPAC Name: 1,8-bis[(4-methoxyphenyl)sulfanyl]anthracene-9,10-dione
SYSTEMATIC NAME: 1,8-bis[(4-methoxyphenyl)sulfanyl]anthracene-9,10-dione
MOLECULAR FORMULA: C28H20O4S2
MOLECULAR WEIGHT: 484.586
SMILES: COC1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=CC=C(C=C5)OC
Structure:
CAS RN: 37946-56-8
CAS Name: 1,8-bis[(4-methylphenyl)thio]anthracene-9,10-dione
OPENEYE Name: 1,8-bis(p-tolylsulfanyl)anthracene-9,10-dione
IUPAC Name: 1,8-bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dione
SYSTEMATIC NAME: 1,8-bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dione
MOLECULAR FORMULA: C28H20O2S2
MOLECULAR WEIGHT: 452.5872
SMILES: CC1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=CC=C(C=C5)C
Structure:
CAS RN: 76561-87-0
CAS Name: 1-(phenylthio)naphthalene
OPENEYE Name: 1-phenylsulfanylnaphthalene
IUPAC Name: 1-phenylsulfanylnaphthalene
SYSTEMATIC NAME: 1-phenylsulfanylnaphthalene
MOLECULAR FORMULA: C16H12S
MOLECULAR WEIGHT: 236.33148
SMILES: C1=CC=C(C=C1)SC2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 1502-46-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C6H3N7O3
MOLECULAR WEIGHT: 221.13312
SMILES: C1(=O)NC2=NC(=O)NC3=NC(=O)N=C(N23)N1
Structure:
CAS RN: 55743-71-0
CAS Name: 1-cyclohexyltetradecylcyclohexane
OPENEYE Name: 1-cyclohexyltetradecylcyclohexane
IUPAC Name: 1-cyclohexyltetradecylcyclohexane
SYSTEMATIC NAME: 1-cyclohexyltetradecylcyclohexane
MOLECULAR FORMULA: C26H50
MOLECULAR WEIGHT: 362.6752
SMILES: CCCCCCCCCCCCCC(C1CCCCC1)C2CCCCC2
Structure:
CAS RN: 22537-07-1
CAS Name: N-[4-(9-acridinylamino)-2-methylphenyl]methanesulfonamide; methanesulfonic acid
OPENEYE Name: N-[4-(acridin-9-ylamino)-2-methyl-phenyl]methanesulfonamide; methanesulfonic acid
IUPAC Name: N-[4-(acridin-9-ylamino)-2-methylphenyl]methanesulfonamide; methanesulfonic acid
SYSTEMATIC NAME: N-[4-(acridin-9-ylamino)-2-methyl-phenyl]methanesulfonamide; methanesulfonic acid
MOLECULAR FORMULA: C22H23N3O5S2
MOLECULAR WEIGHT: 473.56512
SMILES: CC1=C(C=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)NS(=O)(=O)C.CS(=O)(=O)O
Structure:
CAS RN: 26430-30-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H18O6
MOLECULAR WEIGHT: 354.35332
SMILES: CC1C=C2C3C(C1C)C4=CC5=C(C=C4OC36C(=CC2=O)OCO6)OCO5
Structure:
CAS RN: 500699-01-4
CAS Name: 3-iodo-4-(methylamino)benzoic acid
OPENEYE Name: 3-iodo-4-(methylamino)benzoic acid
IUPAC Name: 3-iodo-4-(methylamino)benzoic acid
SYSTEMATIC NAME: 3-iodanyl-4-(methylamino)benzoic acid
MOLECULAR FORMULA: C8H8INO2
MOLECULAR WEIGHT: 277.05909
SMILES: CNC1=C(C=C(C=C1)C(=O)O)I
Structure:
CAS RN: 52019-10-0
CAS Name: 3-[3,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-4-oxanyl]-1-methyl-1-nitrosourea
OPENEYE Name: 3-[3,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-4-yl]-1-methyl-1-nitroso-urea
IUPAC Name: 3-[3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]-1-methyl-1-nitrosourea
SYSTEMATIC NAME: 3-[2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]-1-methyl-1-nitroso-urea
MOLECULAR FORMULA: C9H17N3O7
MOLECULAR WEIGHT: 279.24718
SMILES: CN(C(=O)NC1C(C(OC(C1O)OC)CO)O)N=O
Structure:
CAS RN: 5956-04-7
CAS Name: 3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
OPENEYE Name: 3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
IUPAC Name: 3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
SYSTEMATIC NAME: 3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
MOLECULAR FORMULA: C15H18O3
MOLECULAR WEIGHT: 246.30162
SMILES: CC1C2CCC(=C3C(C2OC1=O)C(=CC3=O)C)C
Structure:
CAS RN: 68797-11-5
CAS Name: tert-butyl-[tert-butyl(oxido)amino]-oxoammonium
OPENEYE Name: tert-butyl-[tert-butyl(oxido)amino]-oxo-ammonium
IUPAC Name: tert-butyl-[tert-butyl(oxido)amino]-oxoazanium
SYSTEMATIC NAME: tert-butyl-[tert-butyl(oxidanidyl)amino]-oxidanylidene-azanium
MOLECULAR FORMULA: C8H18N2O2
MOLECULAR WEIGHT: 174.24072
SMILES: CC(C)(C)N([N+](=O)C(C)(C)C)[O-]
Structure:
CAS RN: 31118-38-4
CAS Name: 1,3-ditert-butyl-1,3-diazetidine-2,4-dione
OPENEYE Name: 1,3-ditert-butyl-1,3-diazetidine-2,4-dione
IUPAC Name: 1,3-ditert-butyl-1,3-diazetidine-2,4-dione
SYSTEMATIC NAME: 1,3-ditert-butyl-1,3-diazetidine-2,4-dione
MOLECULAR FORMULA: C10H18N2O2
MOLECULAR WEIGHT: 198.26212
SMILES: CC(C)(C)N1C(=O)N(C1=O)C(C)(C)C
Structure:
CAS RN: 88522-63-8
CAS Name: N-(4-methoxyphenyl)azo-N-methylacetamide
OPENEYE Name: N-(4-methoxyphenyl)azo-N-methyl-acetamide
IUPAC Name: N-[(4-methoxyphenyl)diazenyl]-N-methylacetamide
SYSTEMATIC NAME: N-[(4-methoxyphenyl)diazenyl]-N-methyl-ethanamide
MOLECULAR FORMULA: C10H13N3O2
MOLECULAR WEIGHT: 207.22912
SMILES: CC(=O)N(C)N=NC1=CC=C(C=C1)OC
Structure:
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