CAS RN: 73851-46-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H19N7O6S
MOLECULAR WEIGHT: 485.47316
SMILES: C1=CC(=CC=C1CSC2=NC=NC3=C2C4=C(N3C5C(C(C(O5)CO)O)O)N=CN=C4N)[N+](=O)[O-]
Structure:
CAS RN: 67505-68-4
CAS Name: 2-(5-amino-7-ethoxy-3-triazolo[4,5-b]pyridinyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(5-amino-7-ethoxy-triazolo[4,5-b]pyridin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(5-amino-7-ethoxytriazolo[4,5-b]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(5-azanyl-7-ethoxy-[1,2,3]triazolo[4,5-b]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C12H17N5O5
MOLECULAR WEIGHT: 311.29388
SMILES: CCOC1=CC(=NC2=C1N=NN2C3C(C(C(O3)CO)O)O)N
Structure:
CAS RN: 64157-45-5
CAS Name: N-[4-(3-acetamido-4-isoquinolinyl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide
OPENEYE Name: N-[4-(3-acetamido-4-isoquinolyl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide
IUPAC Name: N-[4-(3-acetamidoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide
SYSTEMATIC NAME: N-[4-(3-acetamidoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]ethanamide
MOLECULAR FORMULA: C23H24Cl2N4O2
MOLECULAR WEIGHT: 459.36826
SMILES: CC(=O)NC1=C(C2=CC=CC=C2C=N1)C3=CC=C(C=C3)NC(=O)CN(CCCl)CCCl
Structure:
CAS RN: 64157-51-3
CAS Name: N-[4-(3-acetamido-4-isoquinolinyl)phenyl]-2-[bis(2-hydroxyethyl)amino]acetamide
OPENEYE Name: N-[4-(3-acetamido-4-isoquinolyl)phenyl]-2-[bis(2-hydroxyethyl)amino]acetamide
IUPAC Name: N-[4-(3-acetamidoisoquinolin-4-yl)phenyl]-2-[bis(2-hydroxyethyl)amino]acetamide
SYSTEMATIC NAME: N-[4-(3-acetamidoisoquinolin-4-yl)phenyl]-2-[bis(2-hydroxyethyl)amino]ethanamide
MOLECULAR FORMULA: C23H26N4O4
MOLECULAR WEIGHT: 422.47694
SMILES: CC(=O)NC1=C(C2=CC=CC=C2C=N1)C3=CC=C(C=C3)NC(=O)CN(CCO)CCO
Structure:
CAS RN: 73616-27-0
CAS Name: 2-(5-amino-1-pyrazolyl)ethanol
OPENEYE Name: 2-(5-aminopyrazol-1-yl)ethanol
IUPAC Name: 2-(5-aminopyrazol-1-yl)ethanol
SYSTEMATIC NAME: 2-(5-azanylpyrazol-1-yl)ethanol
MOLECULAR FORMULA: C5H9N3O
MOLECULAR WEIGHT: 127.14446
SMILES: C1=C(N(N=C1)CCO)N
Structure:
CAS RN: 2039-13-6
CAS Name: N-(5-thiadiazolyl)carbamic acid phenyl ester
OPENEYE Name: phenyl N-(thiadiazol-5-yl)carbamate
IUPAC Name: phenyl N-(thiadiazol-5-yl)carbamate
SYSTEMATIC NAME: phenyl N-(1,2,3-thiadiazol-5-yl)carbamate
MOLECULAR FORMULA: C9H7N3O2S
MOLECULAR WEIGHT: 221.23578
SMILES: C1=CC=C(C=C1)OC(=O)NC2=CN=NS2
Structure:
CAS RN: 75968-21-7
CAS Name: 2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid
OPENEYE Name: 2-[(4-methoxyphenyl)sulfonylhydrazono]acetic acid
IUPAC Name: 2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid
SYSTEMATIC NAME: 2-[(4-methoxyphenyl)sulfonylhydrazinylidene]ethanoic acid
MOLECULAR FORMULA: C9H10N2O5S
MOLECULAR WEIGHT: 258.2511
SMILES: COC1=CC=C(C=C1)S(=O)(=O)NN=CC(=O)O
Structure:
CAS RN: 75968-20-6
CAS Name: 2-[(4-chlorophenyl)sulfonylhydrazinylidene]acetic acid
OPENEYE Name: 2-[(4-chlorophenyl)sulfonylhydrazono]acetic acid
IUPAC Name: 2-[(4-chlorophenyl)sulfonylhydrazinylidene]acetic acid
SYSTEMATIC NAME: 2-[(4-chlorophenyl)sulfonylhydrazinylidene]ethanoic acid
MOLECULAR FORMULA: C8H7ClN2O4S
MOLECULAR WEIGHT: 262.67018
SMILES: C1=CC(=CC=C1S(=O)(=O)NN=CC(=O)O)Cl
Structure:
CAS RN: 62069-66-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H56N4O9
MOLECULAR WEIGHT: 808.95824
SMILES: CCC1=C[C@@H]2C[C@@](C3=C(CCN(C1)[C@@H]2O)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC
Structure:
CAS RN: 62183-23-7
CAS Name: 4,5,5-triphenyl-2-oxazolidinone
OPENEYE Name: 4,5,5-triphenyloxazolidin-2-one
IUPAC Name: 4,5,5-triphenyl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 4,5,5-triphenyl-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C21H17NO2
MOLECULAR WEIGHT: 315.36518
SMILES: C1=CC=C(C=C1)C2C(OC(=O)N2)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 62183-22-6
CAS Name: (2-hydroxy-1,2,2-triphenylethyl)urea
OPENEYE Name: (2-hydroxy-1,2,2-triphenyl-ethyl)urea
IUPAC Name: (2-hydroxy-1,2,2-triphenylethyl)urea
SYSTEMATIC NAME: 1-(2-oxidanyl-1,2,2-triphenyl-ethyl)urea
MOLECULAR FORMULA: C21H20N2O2
MOLECULAR WEIGHT: 332.3957
SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)(C3=CC=CC=C3)O)NC(=O)N
Structure:
CAS RN: 3170-96-5
CAS Name: benzenesulfonic acid [[amino(phenoxy)methylidene]amino] ester
OPENEYE Name: [[amino(phenoxy)methylene]amino] benzenesulfonate
IUPAC Name: [[amino(phenoxy)methylidene]amino] benzenesulfonate
SYSTEMATIC NAME: [[azanyl(phenoxy)methylidene]amino] benzenesulfonate
MOLECULAR FORMULA: C13H12N2O4S
MOLECULAR WEIGHT: 292.31038
SMILES: C1=CC=C(C=C1)OC(=NOS(=O)(=O)C2=CC=CC=C2)N
Structure:
CAS RN: 5215-91-8
CAS Name: benzenesulfonic acid [[amino(phenoxy)methylidene]amino] ester
OPENEYE Name: [[amino(phenoxy)methylene]amino] benzenesulfonate
IUPAC Name: [[amino(phenoxy)methylidene]amino] benzenesulfonate
SYSTEMATIC NAME: [[azanyl(phenoxy)methylidene]amino] benzenesulfonate
MOLECULAR FORMULA: C13H12N2O4S
MOLECULAR WEIGHT: 292.31038
SMILES: C1=CC=C(C=C1)OC(=NOS(=O)(=O)C2=CC=CC=C2)N
Structure:
CAS RN: 62476-42-0
CAS Name: 5,5-diphenyl-2,3-dihydroimidazo[2,1-b]thiazol-6-one
OPENEYE Name: 5,5-diphenyl-2,3-dihydroimidazo[2,1-b]thiazol-6-one
IUPAC Name: 5,5-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one
SYSTEMATIC NAME: 5,5-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one
MOLECULAR FORMULA: C17H14N2OS
MOLECULAR WEIGHT: 294.37086
SMILES: C1CSC2=NC(=O)C(N21)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 42748-70-9
CAS Name: 6,6-diphenyl-2,3-dihydroimidazo[2,1-b]thiazol-5-one
OPENEYE Name: 6,6-diphenyl-2,3-dihydroimidazo[2,1-b]thiazol-5-one
IUPAC Name: 6,6-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SYSTEMATIC NAME: 6,6-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
MOLECULAR FORMULA: C17H14N2OS
MOLECULAR WEIGHT: 294.37086
SMILES: C1CSC2=NC(C(=O)N21)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 62476-41-9
CAS Name: 1-(2-mercaptoethyl)-5,5-diphenylimidazolidine-2,4-dione
OPENEYE Name: 5,5-diphenyl-1-(2-sulfanylethyl)imidazolidine-2,4-dione
IUPAC Name: 5,5-diphenyl-1-(2-sulfanylethyl)imidazolidine-2,4-dione
SYSTEMATIC NAME: 5,5-diphenyl-1-(2-sulfanylethyl)imidazolidine-2,4-dione
MOLECULAR FORMULA: C17H16N2O2S
MOLECULAR WEIGHT: 312.38614
SMILES: C1=CC=C(C=C1)C2(C(=O)NC(=O)N2CCS)C3=CC=CC=C3
Structure:
CAS RN: 42748-71-0
CAS Name: 3-(2-mercaptoethyl)-5,5-diphenylimidazolidine-2,4-dione
OPENEYE Name: 5,5-diphenyl-3-(2-sulfanylethyl)imidazolidine-2,4-dione
IUPAC Name: 5,5-diphenyl-3-(2-sulfanylethyl)imidazolidine-2,4-dione
SYSTEMATIC NAME: 5,5-diphenyl-3-(2-sulfanylethyl)imidazolidine-2,4-dione
MOLECULAR FORMULA: C17H16N2O2S
MOLECULAR WEIGHT: 312.38614
SMILES: C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CCS)C3=CC=CC=C3
Structure:
CAS RN: 13272-33-8
CAS Name: 3-(2-bromoethyl)-5,5-diphenylimidazolidine-2,4-dione
OPENEYE Name: 3-(2-bromoethyl)-5,5-diphenyl-imidazolidine-2,4-dione
IUPAC Name: 3-(2-bromoethyl)-5,5-diphenylimidazolidine-2,4-dione
SYSTEMATIC NAME: 3-(2-bromoethyl)-5,5-diphenyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C17H15BrN2O2
MOLECULAR WEIGHT: 359.2172
SMILES: C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CCBr)C3=CC=CC=C3
Structure:
CAS RN: 65441-77-2
CAS Name: 2-chlorobenzoic acid (3,5,5-trimethyl-4H-pyrazol-3-yl) ester
OPENEYE Name: (3,5,5-trimethyl-4H-pyrazol-3-yl) 2-chlorobenzoate
IUPAC Name: (3,5,5-trimethyl-4H-pyrazol-3-yl) 2-chlorobenzoate
SYSTEMATIC NAME: (3,5,5-trimethyl-4H-pyrazol-3-yl) 2-chloranylbenzoate
MOLECULAR FORMULA: C13H15ClN2O2
MOLECULAR WEIGHT: 266.7234
SMILES: CC1(CC(N=N1)(C)OC(=O)C2=CC=CC=C2Cl)C
Structure:
CAS RN: 42997-32-0
CAS Name: 2-methyl-3,9-dihydro-2H-furo[2,3-b]quinolin-4-one
OPENEYE Name: 2-methyl-3,9-dihydro-2H-furo[2,3-b]quinolin-4-one
IUPAC Name: 2-methyl-3,9-dihydro-2H-furo[2,3-b]quinolin-4-one
SYSTEMATIC NAME: 2-methyl-3,9-dihydro-2H-furo[2,3-b]quinolin-4-one
MOLECULAR FORMULA: C12H11NO2
MOLECULAR WEIGHT: 201.22124
SMILES: CC1CC2=C(O1)NC3=CC=CC=C3C2=O
Structure:
CAS RN: 70380-26-6
CAS Name: acetic acid [3,4,5-triacetyloxy-6-[4-(bromomethyl)-1-triazolyl]-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-[4-(bromomethyl)triazol-1-yl]tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,5-triacetyloxy-6-[4-(bromomethyl)triazol-1-yl]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-[4-(bromomethyl)-1,2,3-triazol-1-yl]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C17H22BrN3O9
MOLECULAR WEIGHT: 492.27528
SMILES: CC(=O)OCC1C(C(C(C(O1)N2C=C(N=N2)CBr)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 79635-36-2
CAS Name: acetic acid [3,4,5-triacetyloxy-6-[4-(bromomethyl)-1-triazolyl]-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-[4-(bromomethyl)triazol-1-yl]tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,5-triacetyloxy-6-[4-(bromomethyl)triazol-1-yl]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-[4-(bromomethyl)-1,2,3-triazol-1-yl]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C17H22BrN3O9
MOLECULAR WEIGHT: 492.27528
SMILES: CC(=O)OCC1C(C(C(C(O1)N2C=C(N=N2)CBr)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 79635-39-5
CAS Name: acetic acid [3,4,5-triacetyloxy-6-[4-(bromomethyl)-1-triazolyl]-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-[4-(bromomethyl)triazol-1-yl]tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,5-triacetyloxy-6-[4-(bromomethyl)triazol-1-yl]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-[4-(bromomethyl)-1,2,3-triazol-1-yl]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C17H22BrN3O9
MOLECULAR WEIGHT: 492.27528
SMILES: CC(=O)OCC1C(C(C(C(O1)N2C=C(N=N2)CBr)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 19808-35-6
CAS Name: 6-chloro-4-quinazolinamine
OPENEYE Name: 6-chloroquinazolin-4-amine
IUPAC Name: 6-chloroquinazolin-4-amine
SYSTEMATIC NAME: 6-chloranylquinazolin-4-amine
MOLECULAR FORMULA: C8H6ClN3
MOLECULAR WEIGHT: 179.60634
SMILES: C1=CC2=C(C=C1Cl)C(=NC=N2)N
Structure:
CAS RN: 13782-49-5
CAS Name: N-(2-ethoxy-2-oxoethyl)-1-phenylmethanimine oxide
OPENEYE Name: N-(2-ethoxy-2-oxo-ethyl)-1-phenyl-methanimine oxide
IUPAC Name: N-(2-ethoxy-2-oxoethyl)-1-phenylmethanimine oxide
SYSTEMATIC NAME: N-(2-ethoxy-2-oxidanylidene-ethyl)-1-phenyl-methanimine oxide
MOLECULAR FORMULA: C11H13NO3
MOLECULAR WEIGHT: 207.22582
SMILES: CCOC(=O)C[N+](=CC1=CC=CC=C1)[O-]
Structure:
CAS RN: 69241-87-8
CAS Name: 2-chloro-3-[(4-chlorophenyl)methylthio]-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-chloro-3-[(4-chlorophenyl)methylsulfanyl]-5,6-dimethoxy-1,4-benzoquinone
IUPAC Name: 2-chloro-3-[(4-chlorophenyl)methylsulfanyl]-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-chloranyl-3-[(4-chlorophenyl)methylsulfanyl]-5,6-dimethoxy-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C15H12Cl2O4S
MOLECULAR WEIGHT: 359.22438
SMILES: COC1=C(C(=O)C(=C(C1=O)SCC2=CC=C(C=C2)Cl)Cl)OC
Structure:
CAS RN: 61177-98-8
CAS Name: N-(2-chloroethyl)-2-hydroxy-5-methyl-1,2,4-triazin-3-imine
OPENEYE Name: N-(2-chloroethyl)-2-hydroxy-5-methyl-1,2,4-triazin-3-imine
IUPAC Name: N-(2-chloroethyl)-2-hydroxy-5-methyl-1,2,4-triazin-3-imine
SYSTEMATIC NAME: N-(2-chloroethyl)-5-methyl-2-oxidanyl-1,2,4-triazin-3-imine
MOLECULAR FORMULA: C6H9ClN4O
MOLECULAR WEIGHT: 188.61486
SMILES: CC1=NC(=NCCCl)N(N=C1)O
Structure:
CAS RN: 7008-63-1
CAS Name: 6-phenylimidazo[2,1-b]thiazole
OPENEYE Name: 6-phenylimidazo[2,1-b]thiazole
IUPAC Name: 6-phenylimidazo[2,1-b][1,3]thiazole
SYSTEMATIC NAME: 6-phenylimidazo[2,1-b][1,3]thiazole
MOLECULAR FORMULA: C11H8N2S
MOLECULAR WEIGHT: 200.25962
SMILES: C1=CC=C(C=C1)C2=CN3C=CSC3=N2
Structure:
CAS RN: 17073-64-2
CAS Name: 2-[1-(1,3-dimethyl-2,6-dioxo-7-purinyl)-2-oxoethoxy]-3-hydroxypropanal
OPENEYE Name: 2-[1-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-2-oxo-ethoxy]-3-hydroxy-propanal
IUPAC Name: 2-[1-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-oxoethoxy]-3-hydroxypropanal
SYSTEMATIC NAME: 2-[1-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-oxidanylidene-ethoxy]-3-oxidanyl-propanal
MOLECULAR FORMULA: C12H14N4O6
MOLECULAR WEIGHT: 310.26276
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(C=O)OC(CO)C=O
Structure:
CAS RN: 17073-78-8
CAS Name: 3-hydroxy-2-[1-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxoethoxy]propanal
OPENEYE Name: 3-hydroxy-2-[1-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2-oxo-ethoxy]propanal
IUPAC Name: 3-hydroxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-oxoethoxy]propanal
SYSTEMATIC NAME: 2-[1-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-oxidanylidene-ethoxy]-3-oxidanyl-propanal
MOLECULAR FORMULA: C10H12N2O6
MOLECULAR WEIGHT: 256.21208
SMILES: CC1=CN(C(=O)NC1=O)C(C=O)OC(CO)C=O
Structure:
CAS RN: 88010-99-5
CAS Name: 2-[1-(2,6-dioxo-3H-purin-9-yl)-2-oxoethoxy]-3-hydroxypropanal
OPENEYE Name: 2-[1-(2,6-dioxo-3H-purin-9-yl)-2-oxo-ethoxy]-3-hydroxy-propanal
IUPAC Name: 2-[1-(2,6-dioxo-3H-purin-9-yl)-2-oxoethoxy]-3-hydroxypropanal
SYSTEMATIC NAME: 2-[1-[2,6-bis(oxidanylidene)-3H-purin-9-yl]-2-oxidanylidene-ethoxy]-3-oxidanyl-propanal
MOLECULAR FORMULA: C10H10N4O6
MOLECULAR WEIGHT: 282.2096
SMILES: C1=NC2=C(N1C(C=O)OC(CO)C=O)NC(=O)NC2=O
Structure:
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