CAS RN: 72943-37-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C52H65N5O12
MOLECULAR WEIGHT: 952.0988
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5C(CN(CC5C)CC6=CC=C(C=C6)C#N)C)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C
Structure:
CAS RN: 61948-31-0
CAS Name: (4Z)-4-(4,5-dimethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-5,6-dimethyl-1H-pyridine-3-carbonitrile
OPENEYE Name: (4Z)-4-(4,5-dimethoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-5,6-dimethyl-1H-pyridine-3-carbonitrile
IUPAC Name: (4Z)-4-(4,5-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-5,6-dimethyl-1H-pyridine-3-carbonitrile
SYSTEMATIC NAME: (4Z)-4-(4,5-dimethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-5,6-dimethyl-1H-pyridine-3-carbonitrile
MOLECULAR FORMULA: C16H16N2O3
MOLECULAR WEIGHT: 284.30984
SMILES: CC\1=C(NC=C(/C1=C\2/C=CC(=C(C2=O)OC)OC)C#N)C
Structure:
CAS RN: 55029-67-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H47NO13
MOLECULAR WEIGHT: 737.78938
SMILES: CC1/C=C\C=C(\C(=O)NC2=C(C(=C3C(=C(C(=C4C3=C(/C(=C/C(C(C(C(C5C(C(C1OC5=O)C)O)O)C)O)(C)O)/C)OCO4)C)O)C2=O)OC(=O)C)C)/C
Structure:
CAS RN: 52275-61-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H53NO15
MOLECULAR WEIGHT: 811.86792
SMILES: CC1/C=C\C=C(\C(=O)NC2=C(C(=C3C(=C(C(=C4C3=C(/C(=C/C(C(C(C(C(C(C(C1OC(=O)C)C)O)C(=O)OC)O)C)O)(C)O)/C)OCO4)C)O)C2=O)OC(=O)C)C)/C
Structure:
CAS RN: 74840-07-6
CAS Name: 5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid
OPENEYE Name: 5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid
IUPAC Name: 5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 5,6-bis(chloranyl)-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid
MOLECULAR FORMULA: C6H2Cl2N4O2
MOLECULAR WEIGHT: 233.01168
SMILES: C12=C(N=C(C(=N1)Cl)Cl)N=C(N2)C(=O)O
Structure:
CAS RN: 74840-06-5
CAS Name: 5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylate
IUPAC Name: ethyl 5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylate
SYSTEMATIC NAME: ethyl 5,6-bis(chloranyl)-1H-imidazo[4,5-b]pyrazine-2-carboxylate
MOLECULAR FORMULA: C8H6Cl2N4O2
MOLECULAR WEIGHT: 261.06484
SMILES: CCOC(=O)C1=NC2=C(N1)N=C(C(=N2)Cl)Cl
Structure:
CAS RN: 79100-20-2
CAS Name: 5,6-dichloro-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
OPENEYE Name: 5,6-dichloro-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
IUPAC Name: 5,6-dichloro-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
SYSTEMATIC NAME: 5,6-bis(chloranyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
MOLECULAR FORMULA: C5H2Cl2N4O
MOLECULAR WEIGHT: 205.00158
SMILES: C12=C(NC(=O)N1)N=C(C(=N2)Cl)Cl
Structure:
CAS RN: 79100-24-6
CAS Name: 5,6-dichloro-2-(methylthio)-1H-imidazo[4,5-b]pyrazine
OPENEYE Name: 5,6-dichloro-2-methylsulfanyl-1H-imidazo[4,5-b]pyrazine
IUPAC Name: 5,6-dichloro-2-methylsulfanyl-1H-imidazo[4,5-b]pyrazine
SYSTEMATIC NAME: 5,6-bis(chloranyl)-2-methylsulfanyl-1H-imidazo[4,5-b]pyrazine
MOLECULAR FORMULA: C6H4Cl2N4S
MOLECULAR WEIGHT: 235.09376
SMILES: CSC1=NC2=C(N1)N=C(C(=N2)Cl)Cl
Structure:
CAS RN: 58885-16-8
CAS Name: 5,6-dichloro-2-(fluoromethyl)-1H-imidazo[4,5-b]pyrazine
OPENEYE Name: 5,6-dichloro-2-(fluoromethyl)-1H-imidazo[4,5-b]pyrazine
IUPAC Name: 5,6-dichloro-2-(fluoromethyl)-1H-imidazo[4,5-b]pyrazine
SYSTEMATIC NAME: 5,6-bis(chloranyl)-2-(fluoranylmethyl)-1H-imidazo[4,5-b]pyrazine
MOLECULAR FORMULA: C6H3Cl2FN4
MOLECULAR WEIGHT: 221.019223
SMILES: C(C1=NC2=C(N1)N=C(C(=N2)Cl)Cl)F
Structure:
CAS RN: 53219-27-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C52H67N3O12
MOLECULAR WEIGHT: 926.10128
SMILES: CC1CC(CC(N1NC=C2C3=C(C4=C(C(=C5C(=C4C2=O)C(=O)C(O5)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(/C(=O)N3)\C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C)CC6=CC=CC=C6
Structure:
CAS RN: 59061-51-7
CAS Name: trihexyltin
OPENEYE Name: trihexyltin
IUPAC Name: trihexyltin
SYSTEMATIC NAME: trihexyltin
MOLECULAR FORMULA: C18H39Sn
MOLECULAR WEIGHT: 374.21226
SMILES: CCCCCC[Sn](CCCCCC)CCCCCC
Structure:
CAS RN: 2004-74-2
CAS Name: (2E,5E)-2,5-bis[hydroxy(methoxy)methylidene]oxolane-3,4-dione
OPENEYE Name: (2E,5E)-2,5-bis[hydroxy(methoxy)methylene]tetrahydrofuran-3,4-dione
IUPAC Name: (2E,5E)-2,5-bis[hydroxy(methoxy)methylidene]oxolane-3,4-dione
SYSTEMATIC NAME: (2E,5E)-2,5-bis[methoxy(oxidanyl)methylidene]oxolane-3,4-dione
MOLECULAR FORMULA: C8H8O7
MOLECULAR WEIGHT: 216.14492
SMILES: CO/C(=C\1/O/C(=C(/OC)\O)/C(=O)C1=O)/O
Structure:
CAS RN: 58885-13-5
CAS Name: 5,6-dichloro-2-heptadecyl-1H-imidazo[4,5-b]pyrazine
OPENEYE Name: 5,6-dichloro-2-heptadecyl-1H-imidazo[4,5-b]pyrazine
IUPAC Name: 5,6-dichloro-2-heptadecyl-1H-imidazo[4,5-b]pyrazine
SYSTEMATIC NAME: 5,6-bis(chloranyl)-2-heptadecyl-1H-imidazo[4,5-b]pyrazine
MOLECULAR FORMULA: C22H36Cl2N4
MOLECULAR WEIGHT: 427.45404
SMILES: CCCCCCCCCCCCCCCCCC1=NC2=C(N1)N=C(C(=N2)Cl)Cl
Structure:
CAS RN: 33486-34-9
CAS Name: (11Z)-5-methyl-6-benzo[c][1]benzazocinone
OPENEYE Name: (11Z)-5-methylbenzo[c][1]benzazocin-6-one
IUPAC Name: (11Z)-5-methylbenzo[c][1]benzazocin-6-one
SYSTEMATIC NAME: (11Z)-5-methylbenzo[c][1]benzazocin-6-one
MOLECULAR FORMULA: C16H13NO
MOLECULAR WEIGHT: 235.28052
SMILES: CN1C2=CC=CC=C2/C=C\C3=CC=CC=C3C1=O
Structure:
CAS RN: 33607-15-7
CAS Name: (11Z)-5-methyl-6H-benzo[c][1]benzazocine
OPENEYE Name: (11Z)-5-methyl-6H-benzo[c][1]benzazocine
IUPAC Name: (11Z)-5-methyl-6H-benzo[c][1]benzazocine
SYSTEMATIC NAME: (11Z)-5-methyl-6H-benzo[c][1]benzazocine
MOLECULAR FORMULA: C16H15N
MOLECULAR WEIGHT: 221.297
SMILES: CN1CC2=CC=CC=C2/C=C\C3=CC=CC=C31
Structure:
CAS RN: 40599-72-2
CAS Name: (2E)-2-[(butylthio)methylidene]-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-1-one
OPENEYE Name: (2E)-2-(butylsulfanylmethylene)-4a-methyl-decalin-1-one
IUPAC Name: (2E)-2-(butylsulfanylmethylidene)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-1-one
SYSTEMATIC NAME: (2E)-2-(butylsulfanylmethylidene)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-1-one
MOLECULAR FORMULA: C16H26OS
MOLECULAR WEIGHT: 266.44204
SMILES: CCCCS/C=C/1\CCC2(CCCCC2C1=O)C
Structure:
CAS RN: 27875-37-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: C/C/1=C\C(CC2(C(O2)CC3C(C1)OC(=O)C3=C)C)O
Structure:
CAS RN: 17163-22-3
CAS Name: (E)-3-(5-nitro-2-thiophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(5-nitro-2-thienyl)prop-2-enoic acid
IUPAC Name: (E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid
MOLECULAR FORMULA: C7H5NO4S
MOLECULAR WEIGHT: 199.1839
SMILES: C1=C(SC(=C1)[N+](=O)[O-])/C=C/C(=O)O
Structure:
CAS RN: 67194-27-8
CAS Name: benzoic acid [(Z)-(2-oxo-3-oxolanylidene)methyl] ester
OPENEYE Name: [(Z)-(2-oxotetrahydrofuran-3-ylidene)methyl] benzoate
IUPAC Name: [(Z)-(2-oxooxolan-3-ylidene)methyl] benzoate
SYSTEMATIC NAME: [(Z)-(2-oxidanylideneoxolan-3-ylidene)methyl] benzoate
MOLECULAR FORMULA: C12H10O4
MOLECULAR WEIGHT: 218.2054
SMILES: C\1COC(=O)/C1=C\OC(=O)C2=CC=CC=C2
Structure:
CAS RN: 76299-53-1
CAS Name: 4-methylbenzenesulfonic acid [(E)-(2-oxo-3-oxolanylidene)methyl] ester
OPENEYE Name: [(E)-(2-oxotetrahydrofuran-3-ylidene)methyl] 4-methylbenzenesulfonate
IUPAC Name: [(E)-(2-oxooxolan-3-ylidene)methyl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [(E)-(2-oxidanylideneoxolan-3-ylidene)methyl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C12H12O5S
MOLECULAR WEIGHT: 268.28568
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O/C=C/2\CCOC2=O
Structure:
CAS RN: 67194-28-9
CAS Name: 3-[3-[(E)-(2-oxo-3-oxolanylidene)methoxy]propoxymethylidene]-2-oxolanone
OPENEYE Name: 3-[3-[(E)-(2-oxotetrahydrofuran-3-ylidene)methoxy]propoxymethylene]tetrahydrofuran-2-one
IUPAC Name: 3-[3-[(E)-(2-oxooxolan-3-ylidene)methoxy]propoxymethylidene]oxolan-2-one
SYSTEMATIC NAME: 3-[3-[(E)-(2-oxidanylideneoxolan-3-ylidene)methoxy]propoxymethylidene]oxolan-2-one
MOLECULAR FORMULA: C13H16O6
MOLECULAR WEIGHT: 268.26254
SMILES: C1COC(=O)C1=COCCCO/C=C/2\CCOC2=O
Structure:
CAS RN: 25858-77-9
CAS Name: (E)-3-(carbamothioylthio)-2-propenoic acid
OPENEYE Name: (E)-3-carbamothioylsulfanylprop-2-enoic acid
IUPAC Name: (E)-3-carbamothioylsulfanylprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-carbamothioylsulfanylprop-2-enoic acid
MOLECULAR FORMULA: C4H5NO2S2
MOLECULAR WEIGHT: 163.218
SMILES: C(=C/SC(=S)N)\C(=O)O
Structure:
CAS RN: 26051-61-6
CAS Name: N'-[(2,6-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-4-pyridinecarbohydrazide
OPENEYE Name: N'-[(2,6-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]pyridine-4-carbohydrazide
IUPAC Name: N'-[(2,6-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyridine-4-carbohydrazide
SYSTEMATIC NAME: N'-[(2,6-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]pyridine-4-carbohydrazide
MOLECULAR FORMULA: C15H15N3O2
MOLECULAR WEIGHT: 269.2985
SMILES: CC1=CC(=O)C=C(C1=CNNC(=O)C2=CC=NC=C2)C
Structure:
CAS RN: 112553-96-5
CAS Name: 2-[4-(2-carboxyphenyl)-2,5-dihydroxy-3,6-dioxo-1-cyclohexa-1,4-dienyl]benzoic acid
OPENEYE Name: 2-[4-(2-carboxyphenyl)-2,5-dihydroxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl]benzoic acid
IUPAC Name: 2-[4-(2-carboxyphenyl)-2,5-dihydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl]benzoic acid
SYSTEMATIC NAME: 2-[4-(2-carboxyphenyl)-2,5-bis(oxidanyl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]benzoic acid
MOLECULAR FORMULA: C20H12O8
MOLECULAR WEIGHT: 380.30448
SMILES: C1=CC=C(C(=C1)C2=C(C(=O)C(=C(C2=O)O)C3=CC=CC=C3C(=O)O)O)C(=O)O
Structure:
CAS RN: 54874-78-1
CAS Name: (5E)-5-(hydroxymethylidene)-1,3-dimethyl-4-oxo-6,7-dihydroindole-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl (5E)-5-(hydroxymethylene)-1,3-dimethyl-4-oxo-6,7-dihydroindole-2-carboxylate
IUPAC Name: ethyl (5E)-5-(hydroxymethylidene)-1,3-dimethyl-4-oxo-6,7-dihydroindole-2-carboxylate
SYSTEMATIC NAME: ethyl (5E)-1,3-dimethyl-4-oxidanylidene-5-(oxidanylmethylidene)-6,7-dihydroindole-2-carboxylate
MOLECULAR FORMULA: C14H17NO4
MOLECULAR WEIGHT: 263.28908
SMILES: CCOC(=O)C1=C(C2=C(N1C)CC/C(=C\O)/C2=O)C
Structure:
CAS RN: 16877-79-5
CAS Name: (2Z,5Z)-2,5-bis[ethoxy(hydroxy)methylidene]cyclohexane-1,4-dione
OPENEYE Name: (2Z,5Z)-2,5-bis[ethoxy(hydroxy)methylene]cyclohexane-1,4-dione
IUPAC Name: (2Z,5Z)-2,5-bis[ethoxy(hydroxy)methylidene]cyclohexane-1,4-dione
SYSTEMATIC NAME: (2Z,5Z)-2,5-bis[ethoxy(oxidanyl)methylidene]cyclohexane-1,4-dione
MOLECULAR FORMULA: C12H16O6
MOLECULAR WEIGHT: 256.25184
SMILES: CCO/C(=C/1\C(=O)C/C(=C(/OCC)\O)/C(=O)C1)/O
Structure:
CAS RN: 39989-29-2
CAS Name: 1H-imidazo[1,2-b][1,2,4]triazole-5,6-dione
OPENEYE Name: 1H-imidazo[1,2-b][1,2,4]triazole-5,6-dione
IUPAC Name: 1H-imidazo[1,2-b][1,2,4]triazole-5,6-dione
SYSTEMATIC NAME: 1H-imidazo[1,2-b][1,2,4]triazole-5,6-dione
MOLECULAR FORMULA: C4H2N4O2
MOLECULAR WEIGHT: 138.08428
SMILES: C1=NC2=NC(=O)C(=O)N2N1
Structure:
CAS RN: 39958-44-6
CAS Name: 2-amino-1H-imidazo[1,2-b][1,2,4]triazole-5,6-dione
OPENEYE Name: 2-amino-1H-imidazo[1,2-b][1,2,4]triazole-5,6-dione
IUPAC Name: 2-amino-1H-imidazo[1,2-b][1,2,4]triazole-5,6-dione
SYSTEMATIC NAME: 2-azanyl-1H-imidazo[1,2-b][1,2,4]triazole-5,6-dione
MOLECULAR FORMULA: C4H3N5O2
MOLECULAR WEIGHT: 153.09892
SMILES: C1(=O)C(=O)N2C(=N1)N=C(N2)N
Structure:
CAS RN: 42860-60-6
CAS Name: 2-methoxy-1-oxo-1,2-benzothiazol-3-one
OPENEYE Name: 2-methoxy-1-oxo-1,2-benzothiazol-3-one
IUPAC Name: 2-methoxy-1-oxo-1,2-benzothiazol-3-one
SYSTEMATIC NAME: 2-methoxy-1-oxidanylidene-1,2-benzothiazol-3-one
MOLECULAR FORMULA: C8H7NO3S
MOLECULAR WEIGHT: 197.21108
SMILES: CON1C(=O)C2=CC=CC=C2S1=O
Structure:
CAS RN: 42860-61-7
CAS Name: 1-oxo-2-phenylmethoxy-1,2-benzothiazol-3-one
OPENEYE Name: 2-benzyloxy-1-oxo-1,2-benzothiazol-3-one
IUPAC Name: 1-oxo-2-phenylmethoxy-1,2-benzothiazol-3-one
SYSTEMATIC NAME: 1-oxidanylidene-2-phenylmethoxy-1,2-benzothiazol-3-one
MOLECULAR FORMULA: C14H11NO3S
MOLECULAR WEIGHT: 273.30704
SMILES: C1=CC=C(C=C1)CON2C(=O)C3=CC=CC=C3S2=O
Structure:
CAS RN: 53761-35-6
CAS Name: [(E)-(2-oxo-3-oxanylidene)methyl]urea
OPENEYE Name: [(E)-(2-oxotetrahydropyran-3-ylidene)methyl]urea
IUPAC Name: [(E)-(2-oxooxan-3-ylidene)methyl]urea
SYSTEMATIC NAME: 1-[(E)-(2-oxidanylideneoxan-3-ylidene)methyl]urea
MOLECULAR FORMULA: C7H10N2O3
MOLECULAR WEIGHT: 170.1659
SMILES: C1C/C(=C\NC(=O)N)/C(=O)OC1
Structure:
CAS RN: 53761-33-4
CAS Name: [(E)-(5-ethyl-2-oxo-3-oxolanylidene)methyl]urea
OPENEYE Name: [(E)-(5-ethyl-2-oxo-tetrahydrofuran-3-ylidene)methyl]urea
IUPAC Name: [(E)-(5-ethyl-2-oxooxolan-3-ylidene)methyl]urea
SYSTEMATIC NAME: 1-[(E)-(5-ethyl-2-oxidanylidene-oxolan-3-ylidene)methyl]urea
MOLECULAR FORMULA: C8H12N2O3
MOLECULAR WEIGHT: 184.19248
SMILES: CCC1C/C(=C\NC(=O)N)/C(=O)O1
Structure:
CAS RN: 53761-34-5
CAS Name: [(E)-(2-oxo-5-propyl-3-oxolanylidene)methyl]urea
OPENEYE Name: [(E)-(2-oxo-5-propyl-tetrahydrofuran-3-ylidene)methyl]urea
IUPAC Name: [(E)-(2-oxo-5-propyloxolan-3-ylidene)methyl]urea
SYSTEMATIC NAME: 1-[(E)-(2-oxidanylidene-5-propyl-oxolan-3-ylidene)methyl]urea
MOLECULAR FORMULA: C9H14N2O3
MOLECULAR WEIGHT: 198.21906
SMILES: CCCC1C/C(=C\NC(=O)N)/C(=O)O1
Structure:
CAS RN: 79100-22-4
CAS Name: 5,6-dichloro-1,3-dihydroimidazo[4,5-b]pyrazine-2-thione
OPENEYE Name: 5,6-dichloro-1,3-dihydroimidazo[4,5-b]pyrazine-2-thione
IUPAC Name: 5,6-dichloro-1,3-dihydroimidazo[4,5-b]pyrazine-2-thione
SYSTEMATIC NAME: 5,6-bis(chloranyl)-1,3-dihydroimidazo[4,5-b]pyrazine-2-thione
MOLECULAR FORMULA: C5H2Cl2N4S
MOLECULAR WEIGHT: 221.06718
SMILES: C12=C(NC(=S)N1)N=C(C(=N2)Cl)Cl
Structure:
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