CAS RN: 4469-79-8
CAS Name: 3-propoxyaniline
OPENEYE Name: 3-propoxyaniline
IUPAC Name: 3-propoxyaniline
SYSTEMATIC NAME: 3-propoxyaniline
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: CCCOC1=CC=CC(=C1)N
Structure:
CAS RN: 20096-76-8
CAS Name: 5-[[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]ethyl]phenyl]methylamino]-oxomethyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid
OPENEYE Name: 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methyl-benzenesulfonyl fluoride; sulfuric acid
IUPAC Name: 5-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methylbenzenesulfonyl fluoride; sulfuric acid
SYSTEMATIC NAME: 5-[[4-[2-[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoyl]-2-methyl-benzenesulfonyl fluoride; sulfuric acid
MOLECULAR FORMULA: C27H26Cl2FN5O7S2
MOLECULAR WEIGHT: 686.559043
SMILES: CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)CCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl)S(=O)(=O)F.OS(=O)(=O)O
Structure:
CAS RN: 22074-77-7
CAS Name: 2-chloro-4-[[[2-chloro-4-[[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]methoxy]anilino]-oxomethyl]amino]benzenesulfonyl fluoride
OPENEYE Name: 2-chloro-4-[[2-chloro-4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]benzenesulfonyl fluoride
IUPAC Name: 2-chloro-4-[[2-chloro-4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]benzenesulfonyl fluoride
SYSTEMATIC NAME: 4-[[4-[[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-2-chloranyl-phenyl]carbamoylamino]-2-chloranyl-benzenesulfonyl fluoride
MOLECULAR FORMULA: C24H17Cl4FN6O4S
MOLECULAR WEIGHT: 646.304983
SMILES: C1=CC(=C(C=C1C2=C(N=C(N=C2N)N)COC3=CC(=C(C=C3)NC(=O)NC4=CC(=C(C=C4)S(=O)(=O)F)Cl)Cl)Cl)Cl
Structure:
CAS RN: 20096-82-6
CAS Name: 4-[[3-chloro-4-[[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]methoxy]anilino]-oxomethyl]benzenesulfonyl fluoride; sulfuric acid
OPENEYE Name: 4-[[3-chloro-4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoyl]benzenesulfonyl fluoride; sulfuric acid
IUPAC Name: 4-[[3-chloro-4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoyl]benzenesulfonyl fluoride; sulfuric acid
SYSTEMATIC NAME: 4-[[4-[[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-3-chloranyl-phenyl]carbamoyl]benzenesulfonyl fluoride; sulfuric acid
MOLECULAR FORMULA: C24H19Cl3FN5O8S2
MOLECULAR WEIGHT: 694.923763
SMILES: C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)OCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl)Cl)S(=O)(=O)F.OS(=O)(=O)O
Structure:
CAS RN: 53661-94-2
CAS Name: 2-[[[4-[[(2,4-diamino-6-pteridinyl)amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[[(2,4-diaminopteridin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[[(2,4-diaminopteridin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[[2,4-bis(azanyl)pteridin-6-yl]amino]methyl]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C19H20N8O5
MOLECULAR WEIGHT: 440.4127
SMILES: C1=CC(=CC=C1CNC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)NC(CCC(=O)O)C(=O)O
Structure:
CAS RN: 62934-56-9
CAS Name: 7-methylene-4-(2-methylpropyl)-1,2,3,5,6,8-hexahydropyrrolizin-4-ium
OPENEYE Name: 4-isobutyl-7-methylene-1,2,3,5,6,8-hexahydropyrrolizin-4-ium
IUPAC Name: 7-methylidene-4-(2-methylpropyl)-1,2,3,5,6,8-hexahydropyrrolizin-4-ium
SYSTEMATIC NAME: 7-methylidene-4-(2-methylpropyl)-1,2,3,5,6,8-hexahydropyrrolizin-4-ium
MOLECULAR FORMULA: C12H22N+
MOLECULAR WEIGHT: 180.30978
SMILES: CC(C)C[N+]12CCCC1C(=C)CC2
Structure:
CAS RN: 22074-74-4
CAS Name: 4-[[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]methoxy]anilino]-oxomethyl]amino]-2-methylbenzenesulfonyl fluoride
OPENEYE Name: 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methyl-benzenesulfonyl fluoride
IUPAC Name: 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methylbenzenesulfonyl fluoride
SYSTEMATIC NAME: 4-[[4-[[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]-2-methyl-benzenesulfonyl fluoride
MOLECULAR FORMULA: C25H21Cl2FN6O4S
MOLECULAR WEIGHT: 591.441443
SMILES: CC1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)OCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl)S(=O)(=O)F
Structure:
CAS RN: 21975-83-7
CAS Name: 6-[(3-chloro-4-nitrophenoxy)methyl]-5-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
OPENEYE Name: 6-[(3-chloro-4-nitro-phenoxy)methyl]-5-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
IUPAC Name: 6-[(3-chloro-4-nitrophenoxy)methyl]-5-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
SYSTEMATIC NAME: 6-[(3-chloranyl-4-nitro-phenoxy)methyl]-5-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
MOLECULAR FORMULA: C17H12Cl3N5O3
MOLECULAR WEIGHT: 440.66788
SMILES: C1=CC(=C(C=C1C2=C(N=C(N=C2N)N)COC3=CC(=C(C=C3)[N+](=O)[O-])Cl)Cl)Cl
Structure:
CAS RN: 4455-56-5
CAS Name: 5-(3-anilinopropyl)-4-phenyl-2-pyrimidinamine
OPENEYE Name: 5-(3-anilinopropyl)-4-phenyl-pyrimidin-2-amine
IUPAC Name: 5-(3-anilinopropyl)-4-phenylpyrimidin-2-amine
SYSTEMATIC NAME: 4-phenyl-5-(3-phenylazanylpropyl)pyrimidin-2-amine
MOLECULAR FORMULA: C19H20N4
MOLECULAR WEIGHT: 304.3889
SMILES: C1=CC=C(C=C1)C2=NC(=NC=C2CCCNC3=CC=CC=C3)N
Structure:
CAS RN: 20535-93-7
CAS Name: 2-bromo-N-[4-[2,6-diamino-5-(4-chlorophenyl)-4-pyrimidinyl]butyl]acetamide; 2,4,6-trinitrophenol
OPENEYE Name: 2-bromo-N-[4-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]butyl]acetamide; picric acid
IUPAC Name: 2-bromo-N-[4-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]butyl]acetamide; 2,4,6-trinitrophenol
SYSTEMATIC NAME: N-[4-[2,6-bis(azanyl)-5-(4-chlorophenyl)pyrimidin-4-yl]butyl]-2-bromanyl-ethanamide; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C22H22BrClN8O8
MOLECULAR WEIGHT: 641.81588
SMILES: C1=CC(=CC=C1C2=C(N=C(N=C2N)N)CCCCNC(=O)CBr)Cl.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 20105-66-2
CAS Name: 3-[[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]methoxy]phenyl]methylamino]-oxomethyl]-4-methylbenzenesulfonyl fluoride; sulfuric acid
OPENEYE Name: 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]-4-methyl-benzenesulfonyl fluoride; sulfuric acid
IUPAC Name: 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]-4-methylbenzenesulfonyl fluoride; sulfuric acid
SYSTEMATIC NAME: 3-[[4-[[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]-4-methyl-benzenesulfonyl fluoride; sulfuric acid
MOLECULAR FORMULA: C26H24Cl2FN5O8S2
MOLECULAR WEIGHT: 688.531863
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)F)C(=O)NCC2=CC=C(C=C2)OCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl.OS(=O)(=O)O
Structure:
CAS RN: 2762-40-5
CAS Name: 2-amino-N'-(benzenesulfonyl)-4-oxo-5-(4-phenylbutyl)-1H-pyrimidine-6-carbohydrazide
OPENEYE Name: 2-amino-N'-(benzenesulfonyl)-4-oxo-5-(4-phenylbutyl)-1H-pyrimidine-6-carbohydrazide
IUPAC Name: 2-amino-N'-(benzenesulfonyl)-4-oxo-5-(4-phenylbutyl)-1H-pyrimidine-6-carbohydrazide
SYSTEMATIC NAME: 2-azanyl-4-oxidanylidene-5-(4-phenylbutyl)-N'-(phenylsulfonyl)-1H-pyrimidine-6-carbohydrazide
MOLECULAR FORMULA: C21H23N5O4S
MOLECULAR WEIGHT: 441.50342
SMILES: C1=CC=C(C=C1)CCCCC2=C(NC(=NC2=O)N)C(=O)NNS(=O)(=O)C3=CC=CC=C3
Structure:
CAS RN: 18861-36-4
CAS Name: 6-[[4-[2-(chloromethyl)-1,3-dioxolan-2-yl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine
OPENEYE Name: 6-[[4-[2-(chloromethyl)-1,3-dioxolan-2-yl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine
IUPAC Name: 6-[[4-[2-(chloromethyl)-1,3-dioxolan-2-yl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine
SYSTEMATIC NAME: 6-[[[4-[2-(chloromethyl)-1,3-dioxolan-2-yl]phenyl]amino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine
MOLECULAR FORMULA: C21H21Cl2N5O2
MOLECULAR WEIGHT: 446.32974
SMILES: C1COC(O1)(CCl)C2=CC=C(C=C2)NCC3=C(C(=NC(=N3)N)N)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 15422-31-8
CAS Name: 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)-4-pyrimidinyl]methylamino]phenyl]-2-butanone
OPENEYE Name: 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one
IUPAC Name: 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one
SYSTEMATIC NAME: 4-[4-[[2,6-bis(azanyl)-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]-1-chloranyl-butan-2-one
MOLECULAR FORMULA: C21H21Cl2N5O
MOLECULAR WEIGHT: 430.33034
SMILES: C1=CC(=CC=C1CCC(=O)CCl)NCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 13345-06-7
CAS Name: 6-phenyl-1-(3-phenylpropyl)pyrimidine-2,4-dione
OPENEYE Name: 6-phenyl-1-(3-phenylpropyl)pyrimidine-2,4-dione
IUPAC Name: 6-phenyl-1-(3-phenylpropyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-phenyl-1-(3-phenylpropyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C19H18N2O2
MOLECULAR WEIGHT: 306.35842
SMILES: C1=CC=C(C=C1)CCCN2C(=CC(=O)NC2=O)C3=CC=CC=C3
Structure:
CAS RN: 21318-84-3
CAS Name: 2-amino-9-(1-naphthalenyl)-3H-purin-6-one
OPENEYE Name: 2-amino-9-(1-naphthyl)-3H-purin-6-one
IUPAC Name: 2-amino-9-naphthalen-1-yl-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-naphthalen-1-yl-3H-purin-6-one
MOLECULAR FORMULA: C15H11N5O
MOLECULAR WEIGHT: 277.28074
SMILES: C1=CC=C2C(=C1)C=CC=C2N3C=NC4=C3NC(=NC4=O)N
Structure:
CAS RN: 13600-82-3
CAS Name: hexachloromolybdenum
OPENEYE Name: hexachloromolybdenum
IUPAC Name: hexachloromolybdenum
SYSTEMATIC NAME: hexakis(chloranyl)molybdenum
MOLECULAR FORMULA: Cl6Mo
MOLECULAR WEIGHT: 308.658
SMILES: Cl[Mo](Cl)(Cl)(Cl)(Cl)Cl
Structure:
CAS RN: 39032-60-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H46N2O8
MOLECULAR WEIGHT: 682.80184
SMILES: CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)O)OC
Structure:
CAS RN: 54186-33-3
CAS Name: 3-chlorobenzoic acid [2-[(2,4-dichlorophenoxy)methyl]-1-ethyl-3-indolyl]methyl ester
OPENEYE Name: [2-[(2,4-dichlorophenoxy)methyl]-1-ethyl-indol-3-yl]methyl 3-chlorobenzoate
IUPAC Name: [2-[(2,4-dichlorophenoxy)methyl]-1-ethylindol-3-yl]methyl 3-chlorobenzoate
SYSTEMATIC NAME: [2-[[2,4-bis(chloranyl)phenoxy]methyl]-1-ethyl-indol-3-yl]methyl 3-chloranylbenzoate
MOLECULAR FORMULA: C25H20Cl3NO3
MOLECULAR WEIGHT: 488.7902
SMILES: CCN1C2=CC=CC=C2C(=C1COC3=C(C=C(C=C3)Cl)Cl)COC(=O)C4=CC(=CC=C4)Cl
Structure:
CAS RN: 26955-79-3
CAS Name: 3-(phenylhydrazo)propanenitrile
OPENEYE Name: 3-(2-phenylhydrazino)propanenitrile
IUPAC Name: 3-(2-phenylhydrazinyl)propanenitrile
SYSTEMATIC NAME: 3-(2-phenylhydrazinyl)propanenitrile
MOLECULAR FORMULA: C9H11N3
MOLECULAR WEIGHT: 161.20374
SMILES: C1=CC=C(C=C1)NNCCC#N
Structure:
CAS RN: 41967-36-6
CAS Name: acetic acid [1-(2-phenylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester
OPENEYE Name: [1-(2-phenylethyl)quinuclidin-1-ium-3-yl] acetate
IUPAC Name: [1-(2-phenylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate
SYSTEMATIC NAME: [1-(2-phenylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ethanoate
MOLECULAR FORMULA: C17H24NO2+
MOLECULAR WEIGHT: 274.37796
SMILES: CC(=O)OC1C[N+]2(CCC1CC2)CCC3=CC=CC=C3
Structure:
CAS RN: 41967-34-4
CAS Name: acetic acid [1-(diphenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester
OPENEYE Name: (1-benzhydrylquinuclidin-1-ium-3-yl) acetate
IUPAC Name: (1-benzhydryl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate
SYSTEMATIC NAME: [1-(diphenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ethanoate
MOLECULAR FORMULA: C22H26NO2+
MOLECULAR WEIGHT: 336.44734
SMILES: CC(=O)OC1C[N+]2(CCC1CC2)C(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 42002-71-1
CAS Name: acetic acid [1-(1-oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester
OPENEYE Name: [1-(1-methyl-2-oxo-2-phenyl-ethyl)quinuclidin-1-ium-3-yl] acetate
IUPAC Name: [1-(1-oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate
SYSTEMATIC NAME: [1-(1-oxidanylidene-1-phenyl-propan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] ethanoate
MOLECULAR FORMULA: C18H24NO3+
MOLECULAR WEIGHT: 302.38806
SMILES: CC(C(=O)C1=CC=CC=C1)[N+]23CCC(CC2)C(C3)OC(=O)C
Structure:
CAS RN: 41967-35-5
CAS Name: acetic acid [1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester
OPENEYE Name: (1-benzylquinuclidin-1-ium-3-yl) acetate
IUPAC Name: (1-benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate
SYSTEMATIC NAME: [1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ethanoate
MOLECULAR FORMULA: C16H22NO2+
MOLECULAR WEIGHT: 260.35138
SMILES: CC(=O)OC1C[N+]2(CCC1CC2)CC3=CC=CC=C3
Structure:
CAS RN: 70298-89-4
CAS Name: 2,2-dimethyl-N-pyridin-4-ylpropanamide
OPENEYE Name: 2,2-dimethyl-N-(4-pyridyl)propanamide
IUPAC Name: 2,2-dimethyl-N-pyridin-4-ylpropanamide
SYSTEMATIC NAME: 2,2-dimethyl-N-pyridin-4-yl-propanamide
MOLECULAR FORMULA: C10H14N2O
MOLECULAR WEIGHT: 178.23096
SMILES: CC(C)(C)C(=O)NC1=CC=NC=C1
Structure:
CAS RN: 15448-88-1
CAS Name: 1,3-bis(diphenylmethyl)imidazol-1-ium; 2-hydroxy-2,2-diphenylacetic acid
OPENEYE Name: 1,3-dibenzhydrylimidazol-1-ium; 2-hydroxy-2,2-diphenyl-acetic acid
IUPAC Name: 1,3-dibenzhydrylimidazol-1-ium; 2-hydroxy-2,2-diphenylacetic acid
SYSTEMATIC NAME: 1,3-bis(diphenylmethyl)imidazol-1-ium; 2-oxidanyl-2,2-diphenyl-ethanoic acid
MOLECULAR FORMULA: C43H37N2O3+
MOLECULAR WEIGHT: 629.76548
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C=C[N+](=C3)C(C4=CC=CC=C4)C5=CC=CC=C5.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)O
Structure:
CAS RN: 73953-89-6
CAS Name: 1-(phenylmethyl)triazole-4,5-dicarboxylic acid
OPENEYE Name: 1-benzyltriazole-4,5-dicarboxylic acid
IUPAC Name: 1-benzyltriazole-4,5-dicarboxylic acid
SYSTEMATIC NAME: 1-(phenylmethyl)-1,2,3-triazole-4,5-dicarboxylic acid
MOLECULAR FORMULA: C11H9N3O4
MOLECULAR WEIGHT: 247.20686
SMILES: C1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)O)C(=O)O
Structure:
CAS RN: 89977-66-2
CAS Name: N-[amino(nitramido)methylidene]benzamide
OPENEYE Name: N-[amino(nitramido)methylene]benzamide
IUPAC Name: N-[amino(nitramido)methylidene]benzamide
SYSTEMATIC NAME: N-[azanyl(nitramido)methylidene]benzamide
MOLECULAR FORMULA: C8H8N4O3
MOLECULAR WEIGHT: 208.17412
SMILES: C1=CC=C(C=C1)C(=O)N=C(N)N[N+](=O)[O-]
Structure:
CAS RN: 87442-96-4
CAS Name: 2-[1,3-bis(2-methylphenyl)-2-imidazolidinylidene]-1,3-bis(2-methylphenyl)imidazolidine
OPENEYE Name: 2-[1,3-bis(o-tolyl)imidazolidin-2-ylidene]-1,3-bis(o-tolyl)imidazolidine
IUPAC Name: 2-[1,3-bis(2-methylphenyl)imidazolidin-2-ylidene]-1,3-bis(2-methylphenyl)imidazolidine
SYSTEMATIC NAME: 2-[1,3-bis(2-methylphenyl)imidazolidin-2-ylidene]-1,3-bis(2-methylphenyl)imidazolidine
MOLECULAR FORMULA: C34H36N4
MOLECULAR WEIGHT: 500.67644
SMILES: CC1=CC=CC=C1N2CCN(C2=C3N(CCN3C4=CC=CC=C4C)C5=CC=CC=C5C)C6=CC=CC=C6C
Structure:
CAS RN: 26438-00-6
CAS Name: 2-hydroxy-5-[(2-hydroxy-5-methylphenyl)-[3-[(2-hydroxy-5-methylphenyl)-(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-2-oxo-1,3-diazetidin-1-yl]methyl]-4-methylbenzenesulfonic acid
OPENEYE Name: 2-hydroxy-5-[(2-hydroxy-5-methyl-phenyl)-[3-[(2-hydroxy-5-methyl-phenyl)-(4-hydroxy-2-methyl-5-sulfo-phenyl)methyl]-2-oxo-1,3-diazetidin-1-yl]methyl]-4-methyl-benzenesulfonic acid
IUPAC Name: 2-hydroxy-5-[(2-hydroxy-5-methylphenyl)-[3-[(2-hydroxy-5-methylphenyl)-(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-2-oxo-1,3-diazetidin-1-yl]methyl]-4-methylbenzenesulfonic acid
SYSTEMATIC NAME: 4-methyl-5-[(5-methyl-2-oxidanyl-phenyl)-[3-[(5-methyl-2-oxidanyl-phenyl)-(2-methyl-4-oxidanyl-5-sulfo-phenyl)methyl]-2-oxidanylidene-1,3-diazetidin-1-yl]methyl]-2-oxidanyl-benzenesulfonic acid
MOLECULAR FORMULA: C32H32N2O11S2
MOLECULAR WEIGHT: 684.73328
SMILES: CC1=CC(=C(C=C1)O)C(C2=CC(=C(C=C2C)O)S(=O)(=O)O)N3CN(C3=O)C(C4=CC(=C(C=C4C)O)S(=O)(=O)O)C5=C(C=CC(=C5)C)O
Structure:
CAS RN: 4662-71-9
CAS Name: 1-methyl-4-pyridin-1-iumcarboxaldehyde
OPENEYE Name: 1-methylpyridin-1-ium-4-carbaldehyde
IUPAC Name: 1-methylpyridin-1-ium-4-carbaldehyde
SYSTEMATIC NAME: 1-methylpyridin-1-ium-4-carbaldehyde
MOLECULAR FORMULA: C7H8NO+
MOLECULAR WEIGHT: 122.14452
SMILES: C[N+]1=CC=C(C=C1)C=O
Structure:
CAS RN: 54012-91-8
CAS Name: 4-(1-adamantyl)-1,5-dihydro-1,5-benzodiazepin-2-one
OPENEYE Name: 4-(1-adamantyl)-1,5-dihydro-1,5-benzodiazepin-2-one
IUPAC Name: 4-(1-adamantyl)-1,5-dihydro-1,5-benzodiazepin-2-one
SYSTEMATIC NAME: 4-(1-adamantyl)-1,5-dihydro-1,5-benzodiazepin-2-one
MOLECULAR FORMULA: C19H22N2O
MOLECULAR WEIGHT: 294.39078
SMILES: C1C2CC3CC1CC(C2)(C3)C4=CC(=O)NC5=CC=CC=C5N4
Structure:
CAS RN: 54012-89-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H26N2O
MOLECULAR WEIGHT: 334.45464
SMILES: C1CC2=C3C(=CC=C2)NC(=O)C=C(N3C1)C45CC6CC(C4)CC(C6)C5
Structure:
CAS RN: 20745-98-6
CAS Name: dibromocopper; triphenyl(triphenylphosphoranylidenemethyl)phosphonium
OPENEYE Name: dibromocopper; triphenyl-[(triphenyl-$l^{5}-phosphanylidene)methyl]phosphonium
IUPAC Name: dibromocopper; triphenyl-[(triphenyl-$l^{5}-phosphanylidene)methyl]phosphanium
SYSTEMATIC NAME: bis(bromanyl)copper; triphenyl-[(triphenyl-$l^{5}-phosphanylidene)methyl]phosphanium
MOLECULAR FORMULA: C37H31Br2CuP2+
MOLECULAR WEIGHT: 760.943562
SMILES: C1=CC=C(C=C1)P(=C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cu](Br)Br
Structure:
CAS RN: 24261-38-9
CAS Name: bromo(trichloro)iron; triphenyl(triphenylphosphoranylidenemethyl)phosphonium
OPENEYE Name: bromo(trichloro)iron; triphenyl-[(triphenyl-$l^{5}-phosphanylidene)methyl]phosphonium
IUPAC Name: bromo(trichloro)iron; triphenyl-[(triphenyl-$l^{5}-phosphanylidene)methyl]phosphanium
SYSTEMATIC NAME: bromanyl-tris(chloranyl)iron; triphenyl-[(triphenyl-$l^{5}-phosphanylidene)methyl]phosphanium
MOLECULAR FORMULA: C37H31BrCl3FeP2+
MOLECULAR WEIGHT: 779.697562
SMILES: C1=CC=C(C=C1)P(=C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.Cl[Fe](Cl)(Cl)Br
Structure:
CAS RN: 819-66-9
CAS Name: iodo-[2-[(2-methylpropan-2-yl)oxy]ethyl]mercury
OPENEYE Name: 2-tert-butoxyethyl(iodo)mercury
IUPAC Name: iodo-[2-[(2-methylpropan-2-yl)oxy]ethyl]mercury
SYSTEMATIC NAME: iodanyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]mercury
MOLECULAR FORMULA: C6H13HgIO
MOLECULAR WEIGHT: 428.66129
SMILES: CC(C)(C)OCC[Hg]I
Structure:
CAS RN: 1440-98-8
CAS Name: N-bis(2,3,4,5,6-pentachlorophenoxy)phosphoryl-N-methylmethanamine
OPENEYE Name: N-bis(2,3,4,5,6-pentachlorophenoxy)phosphoryl-N-methyl-methanamine
IUPAC Name: N-bis(2,3,4,5,6-pentachlorophenoxy)phosphoryl-N-methylmethanamine
SYSTEMATIC NAME: N-bis[2,3,4,5,6-pentakis(chloranyl)phenoxy]phosphoryl-N-methyl-methanamine
MOLECULAR FORMULA: C14H6Cl10NO3P
MOLECULAR WEIGHT: 621.706101
SMILES: CN(C)P(=O)(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 10074-32-5
CAS Name: diphenyl-bis(prop-2-enyl)stannane
OPENEYE Name: diallyl(diphenyl)stannane
IUPAC Name: diphenyl-bis(prop-2-enyl)stannane
SYSTEMATIC NAME: diphenyl-bis(prop-2-enyl)stannane
MOLECULAR FORMULA: C18H20Sn
MOLECULAR WEIGHT: 355.0614
SMILES: C=CC[Sn](CC=C)(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
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