CAS RN: 40816-51-1
CAS Name: zinc 2-amino-4-(methylthio)butanoate
OPENEYE Name: zinc 2-amino-4-methylsulfanyl-butanoate
IUPAC Name: zinc 2-amino-4-methylsulfanylbutanoate
SYSTEMATIC NAME: zinc 2-azanyl-4-methylsulfanyl-butanoate
MOLECULAR FORMULA: C10H20N2O4S2Zn
MOLECULAR WEIGHT: 361.8158
SMILES: CSCCC(C(=O)[O-])N.CSCCC(C(=O)[O-])N.[Zn+2]
Structure:
CAS RN: 53491-30-8
CAS Name: 2-[2,5-dichloro-4-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)phenyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione
OPENEYE Name: 2-[2,5-dichloro-4-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)phenyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione
IUPAC Name: 2-[2,5-dichloro-4-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)phenyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione
SYSTEMATIC NAME: 2-[4-[6,11-bis(oxidanylidene)-3H-naphtho[2,3-e]benzimidazol-2-yl]-2,5-bis(chloranyl)phenyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione
MOLECULAR FORMULA: C36H16Cl2N4O4
MOLECULAR WEIGHT: 639.44264
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC(=N4)C5=CC(=C(C=C5Cl)C6=NC7=C(N6)C=CC8=C7C(=O)C9=CC=CC=C9C8=O)Cl
Structure:
CAS RN: 53485-07-7
CAS Name: 10-(1-azabicyclo[2.2.2]octan-3-ylmethyl)phenothiazine 5-oxide
OPENEYE Name: 10-(quinuclidin-3-ylmethyl)phenothiazine 5-oxide
IUPAC Name: 10-(1-azabicyclo[2.2.2]octan-3-ylmethyl)phenothiazine 5-oxide
SYSTEMATIC NAME: 10-(1-azabicyclo[2.2.2]octan-3-ylmethyl)phenothiazine 5-oxide
MOLECULAR FORMULA: C20H22N2OS
MOLECULAR WEIGHT: 338.46648
SMILES: C1CN2CCC1C(C2)CN3C4=CC=CC=C4S(=O)C5=CC=CC=C53
Structure:
CAS RN: 40748-21-8
CAS Name: [4-(2,5-dioxo-1-pyrrolyl)phenyl]methyl-trimethylammonium
OPENEYE Name: [4-(2,5-dioxopyrrol-1-yl)phenyl]methyl-trimethyl-ammonium
IUPAC Name: [4-(2,5-dioxopyrrol-1-yl)phenyl]methyl-trimethylazanium
SYSTEMATIC NAME: [4-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]methyl-trimethyl-azanium
MOLECULAR FORMULA: C14H17N2O2+
MOLECULAR WEIGHT: 245.29698
SMILES: C[N+](C)(C)CC1=CC=C(C=C1)N2C(=O)C=CC2=O
Structure:
CAS RN: 53468-88-5
CAS Name: [4-(2,5-dioxo-1-pyrrolyl)phenyl]methyl-trimethylammonium
OPENEYE Name: [4-(2,5-dioxopyrrol-1-yl)phenyl]methyl-trimethyl-ammonium
IUPAC Name: [4-(2,5-dioxopyrrol-1-yl)phenyl]methyl-trimethylazanium
SYSTEMATIC NAME: [4-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]methyl-trimethyl-azanium
MOLECULAR FORMULA: C14H17N2O2+
MOLECULAR WEIGHT: 245.29698
SMILES: C[N+](C)(C)CC1=CC=C(C=C1)N2C(=O)C=CC2=O
Structure:
CAS RN: 40690-89-9
CAS Name: benzoic acid 2-[N-(2-cyanoethyl)-4-(4-nitrophenyl)azoanilino]ethyl ester
OPENEYE Name: 2-[N-(2-cyanoethyl)-4-(4-nitrophenyl)azo-anilino]ethyl benzoate
IUPAC Name: 2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl benzoate
SYSTEMATIC NAME: 2-[2-cyanoethyl-[4-[(4-nitrophenyl)diazenyl]phenyl]amino]ethyl benzoate
MOLECULAR FORMULA: C24H21N5O4
MOLECULAR WEIGHT: 443.45464
SMILES: C1=CC=C(C=C1)C(=O)OCCN(CCC#N)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 79300-11-1
CAS Name: benzoic acid 2-[N-(2-cyanoethyl)-4-(4-nitrophenyl)azoanilino]ethyl ester
OPENEYE Name: 2-[N-(2-cyanoethyl)-4-(4-nitrophenyl)azo-anilino]ethyl benzoate
IUPAC Name: 2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl benzoate
SYSTEMATIC NAME: 2-[2-cyanoethyl-[4-[(4-nitrophenyl)diazenyl]phenyl]amino]ethyl benzoate
MOLECULAR FORMULA: C24H21N5O4
MOLECULAR WEIGHT: 443.45464
SMILES: C1=CC=C(C=C1)C(=O)OCCN(CCC#N)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 5345-17-5
CAS Name: [(2S,5R)-5-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-2-oxolanyl]methanol
OPENEYE Name: [(2S,5R)-5-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)tetrahydrofuran-2-yl]methanol
IUPAC Name: [(2S,5R)-5-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolan-2-yl]methanol
SYSTEMATIC NAME: [(2S,5R)-5-(7-azanyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolan-2-yl]methanol
MOLECULAR FORMULA: C10H13N5O2
MOLECULAR WEIGHT: 235.24252
SMILES: C1C[C@@H](O[C@@H]1CO)C2=C3C(=NN2)C(=NC=N3)N
Structure:
CAS RN: 53451-94-8
CAS Name: [(2S,5R)-5-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-2-oxolanyl]methanol
OPENEYE Name: [(2S,5R)-5-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)tetrahydrofuran-2-yl]methanol
IUPAC Name: [(2S,5R)-5-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolan-2-yl]methanol
SYSTEMATIC NAME: [(2S,5R)-5-(7-azanyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolan-2-yl]methanol
MOLECULAR FORMULA: C10H13N5O2
MOLECULAR WEIGHT: 235.24252
SMILES: C1C[C@@H](O[C@@H]1CO)C2=C3C(=NN2)C(=NC=N3)N
Structure:
CAS RN: 40615-39-2
CAS Name: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-2-oxolanyl]-5-methylpyrimidine-2,4-dione
OPENEYE Name: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C31H32N2O7
MOLECULAR WEIGHT: 544.59498
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O
Structure:
CAS RN: 169474-07-1
CAS Name: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-2-oxolanyl]-5-methylpyrimidine-2,4-dione
OPENEYE Name: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C31H32N2O7
MOLECULAR WEIGHT: 544.59498
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O
Structure:
CAS RN: 203926-33-4
CAS Name: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-2-oxolanyl]-5-methylpyrimidine-2,4-dione
OPENEYE Name: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C31H32N2O7
MOLECULAR WEIGHT: 544.59498
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O
Structure:
CAS RN: 40580-75-4
CAS Name: 4,5-dimethylbenzene-1,2-diamine; platinum(2+); dichloride
OPENEYE Name: 4,5-dimethylbenzene-1,2-diamine; platinum(2+); dichloride
IUPAC Name: 4,5-dimethylbenzene-1,2-diamine; platinum(2+); dichloride
SYSTEMATIC NAME: 4,5-dimethylbenzene-1,2-diamine; platinum(2+); dichloride
MOLECULAR FORMULA: C8H12Cl2N2Pt
MOLECULAR WEIGHT: 402.17828
SMILES: CC1=CC(=C(C=C1C)N)N.[Cl-].[Cl-].[Pt+2]
Structure:
CAS RN: 5496-35-5
CAS Name: 1-(4-chlorophenoxy)-3-[4-(3,4-dimethoxyphenyl)-1-piperazinyl]-2-propanol
OPENEYE Name: 1-(4-chlorophenoxy)-3-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]propan-2-ol
IUPAC Name: 1-(4-chlorophenoxy)-3-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]propan-2-ol
SYSTEMATIC NAME: 1-(4-chloranylphenoxy)-3-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]propan-2-ol
MOLECULAR FORMULA: C21H27ClN2O4
MOLECULAR WEIGHT: 406.90308
SMILES: COC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)Cl)O)OC
Structure:
CAS RN: 40475-25-0
CAS Name: 1-(4-chlorophenoxy)-3-[4-(3,4-dimethoxyphenyl)-1-piperazinyl]-2-propanol
OPENEYE Name: 1-(4-chlorophenoxy)-3-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]propan-2-ol
IUPAC Name: 1-(4-chlorophenoxy)-3-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]propan-2-ol
SYSTEMATIC NAME: 1-(4-chloranylphenoxy)-3-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]propan-2-ol
MOLECULAR FORMULA: C21H27ClN2O4
MOLECULAR WEIGHT: 406.90308
SMILES: COC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)Cl)O)OC
Structure:
CAS RN: 135835-66-4
CAS Name: acetic acid 7-methyloctyl ester
OPENEYE Name: 7-methyloctyl acetate
IUPAC Name: 7-methyloctyl acetate
SYSTEMATIC NAME: 7-methyloctyl ethanoate
MOLECULAR FORMULA: C11H22O2
MOLECULAR WEIGHT: 186.29118
SMILES: CC(C)CCCCCCOC(=O)C
Structure:
CAS RN: 40379-24-6
CAS Name: acetic acid 7-methyloctyl ester
OPENEYE Name: 7-methyloctyl acetate
IUPAC Name: 7-methyloctyl acetate
SYSTEMATIC NAME: 7-methyloctyl ethanoate
MOLECULAR FORMULA: C11H22O2
MOLECULAR WEIGHT: 186.29118
SMILES: CC(C)CCCCCCOC(=O)C
Structure:
CAS RN: 40323-57-7
CAS Name: 6-[(3R)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]-2,2-dimethyl-1-benzopyran-5-ol
OPENEYE Name: 6-[(3R)-7-hydroxychroman-3-yl]-2,2-dimethyl-chromen-5-ol
IUPAC Name: 6-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol
SYSTEMATIC NAME: 2,2-dimethyl-6-[(3R)-7-oxidanyl-3,4-dihydro-2H-chromen-3-yl]chromen-5-ol
MOLECULAR FORMULA: C20H20O4
MOLECULAR WEIGHT: 324.3704
SMILES: CC1(C=CC2=C(O1)C=CC(=C2O)[C@H]3CC4=C(C=C(C=C4)O)OC3)C
Structure:
CAS RN: 5333-15-3
CAS Name: 6-[(3R)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]-2,2-dimethyl-1-benzopyran-5-ol
OPENEYE Name: 6-[(3R)-7-hydroxychroman-3-yl]-2,2-dimethyl-chromen-5-ol
IUPAC Name: 6-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol
SYSTEMATIC NAME: 2,2-dimethyl-6-[(3R)-7-oxidanyl-3,4-dihydro-2H-chromen-3-yl]chromen-5-ol
MOLECULAR FORMULA: C20H20O4
MOLECULAR WEIGHT: 324.3704
SMILES: CC1(C=CC2=C(O1)C=CC(=C2O)[C@H]3CC4=C(C=C(C=C4)O)OC3)C
Structure:
CAS RN: 5333-22-2
CAS Name: 6-[(3R)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]-2,2-dimethyl-1-benzopyran-5-ol
OPENEYE Name: 6-[(3R)-7-hydroxychroman-3-yl]-2,2-dimethyl-chromen-5-ol
IUPAC Name: 6-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol
SYSTEMATIC NAME: 2,2-dimethyl-6-[(3R)-7-oxidanyl-3,4-dihydro-2H-chromen-3-yl]chromen-5-ol
MOLECULAR FORMULA: C20H20O4
MOLECULAR WEIGHT: 324.3704
SMILES: CC1(C=CC2=C(O1)C=CC(=C2O)[C@H]3CC4=C(C=C(C=C4)O)OC3)C
Structure:
CAS RN: 40031-31-0
CAS Name: 1,3,4-trihydroxy-2-butanone
OPENEYE Name: 1,3,4-trihydroxybutan-2-one
IUPAC Name: 1,3,4-trihydroxybutan-2-one
SYSTEMATIC NAME: 1,3,4-tris(oxidanyl)butan-2-one
MOLECULAR FORMULA: C4H8O4
MOLECULAR WEIGHT: 120.10392
SMILES: C(C(C(=O)CO)O)O
Structure:
CAS RN: 496-55-9
CAS Name: 1,3,4-trihydroxy-2-butanone
OPENEYE Name: 1,3,4-trihydroxybutan-2-one
IUPAC Name: 1,3,4-trihydroxybutan-2-one
SYSTEMATIC NAME: 1,3,4-tris(oxidanyl)butan-2-one
MOLECULAR FORMULA: C4H8O4
MOLECULAR WEIGHT: 120.10392
SMILES: C(C(C(=O)CO)O)O
Structure:
CAS RN: 52716-31-1
CAS Name: 2-bromoacetic acid (1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidinyl) ester
OPENEYE Name: (1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidyl) 2-bromoacetate
IUPAC Name: (1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-bromoacetate
SYSTEMATIC NAME: (1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-piperidin-4-yl) 2-bromanylethanoate
MOLECULAR FORMULA: C11H19BrNO3
MOLECULAR WEIGHT: 293.17746
SMILES: CC1(CC(CC(N1[O])(C)C)OC(=O)CBr)C
Structure:
CAS RN: 52723-60-1
CAS Name: 2-bromoacetic acid (1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidinyl) ester
OPENEYE Name: (1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidyl) 2-bromoacetate
IUPAC Name: (1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-bromoacetate
SYSTEMATIC NAME: (1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-piperidin-4-yl) 2-bromanylethanoate
MOLECULAR FORMULA: C11H19BrNO3
MOLECULAR WEIGHT: 293.17746
SMILES: CC1(CC(CC(N1[O])(C)C)OC(=O)CBr)C
Structure:
CAS RN: 5260-40-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C50H82O22
MOLECULAR WEIGHT: 1035.17288
SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)
Structure:
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