CAS RN: 159212-46-1
CAS Name: (3E)-5-hydroxy-3-[[(phenylmethyl)amino]methylidene]-1H-indol-2-one
OPENEYE Name: (3E)-3-[(benzylamino)methylene]-5-hydroxy-indolin-2-one
IUPAC Name: (3E)-3-[(benzylamino)methylidene]-5-hydroxy-1H-indol-2-one
SYSTEMATIC NAME: (3E)-5-oxidanyl-3-[[(phenylmethyl)amino]methylidene]-1H-indol-2-one
MOLECULAR FORMULA: C16H14N2O2
MOLECULAR WEIGHT: 266.29456
SMILES: C1=CC=C(C=C1)CN/C=C/2\C3=C(C=CC(=C3)O)NC2=O
Structure:
CAS RN: 59851-25-1
CAS Name: [(Z)-(10-oxo-9-phenanthrenylidene)amino]thiourea
OPENEYE Name: [(Z)-(10-oxo-9-phenanthrylidene)amino]thiourea
IUPAC Name: [(Z)-(10-oxophenanthren-9-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-[(Z)-(10-oxidanylidenephenanthren-9-ylidene)amino]thiourea
MOLECULAR FORMULA: C15H11N3OS
MOLECULAR WEIGHT: 281.33234
SMILES: C1=CC=C\2C(=C1)C3=CC=CC=C3C(=O)/C2=N\NC(=S)N
Structure:
CAS RN: 1681-10-3
CAS Name: 6-methyl-7H-purin-2-amine
OPENEYE Name: 6-methyl-7H-purin-2-amine
IUPAC Name: 6-methyl-7H-purin-2-amine
SYSTEMATIC NAME: 6-methyl-7H-purin-2-amine
MOLECULAR FORMULA: C6H7N5
MOLECULAR WEIGHT: 149.15328
SMILES: CC1=C2C(=NC(=N1)N)N=CN2
Structure:
CAS RN: 137988-03-5
CAS Name: 7-hydroxy-3-(3-nitrophenoxy)-1-benzopyran-4-one
OPENEYE Name: 7-hydroxy-3-(3-nitrophenoxy)chromen-4-one
IUPAC Name: 7-hydroxy-3-(3-nitrophenoxy)chromen-4-one
SYSTEMATIC NAME: 3-(3-nitrophenoxy)-7-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C15H9NO6
MOLECULAR WEIGHT: 299.23506
SMILES: C1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)O)[N+](=O)[O-]
Structure:
CAS RN: 20554-84-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C
Structure:
CAS RN: 119325-19-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C
Structure:
CAS RN: 120852-67-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C
Structure:
CAS RN: 344906-67-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C
Structure:
CAS RN: 21058-55-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C
Structure:
CAS RN: 374546-10-8
CAS Name: (5Z)-1-(2-fluorophenyl)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: (5Z)-1-(2-fluorophenyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: (5Z)-1-(2-fluorophenyl)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: (5Z)-1-(2-fluorophenyl)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C15H10FN3O2S
MOLECULAR WEIGHT: 315.322203
SMILES: C1=CC=C(C(=C1)N2C(=O)/C(=C\C3=CC=CN3)/C(=O)NC2=S)F
Structure:
CAS RN: 160358-95-2
CAS Name: bis(4-morpholinyl)phosphoryl-(4-morpholinyl)methanone oxime
OPENEYE Name: dimorpholinophosphoryl(morpholino)methanone oxime
IUPAC Name: (NE)-N-[dimorpholin-4-ylphosphoryl(morpholin-4-yl)methylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[dimorpholin-4-ylphosphoryl(morpholin-4-yl)methylidene]hydroxylamine
MOLECULAR FORMULA: C13H25N4O5P
MOLECULAR WEIGHT: 348.335161
SMILES: C1COCCN1/C(=N\O)/P(=O)(N2CCOCC2)N3CCOCC3
Structure:
CAS RN: 22589-72-6
CAS Name: N-[(E)-1-(2-furanyl)ethylideneamino]carbamic acid methyl ester
OPENEYE Name: methyl N-[(E)-1-(2-furyl)ethylideneamino]carbamate
IUPAC Name: methyl N-[(E)-1-(furan-2-yl)ethylideneamino]carbamate
SYSTEMATIC NAME: methyl N-[(E)-1-(furan-2-yl)ethylideneamino]carbamate
MOLECULAR FORMULA: C8H10N2O3
MOLECULAR WEIGHT: 182.1766
SMILES: C/C(=N\NC(=O)OC)/C1=CC=CO1
Structure:
CAS RN: 85029-91-0
CAS Name: 4-(chloromethyl)-6,7-dihydroxy-1-benzopyran-2-one
OPENEYE Name: 4-(chloromethyl)-6,7-dihydroxy-chromen-2-one
IUPAC Name: 4-(chloromethyl)-6,7-dihydroxychromen-2-one
SYSTEMATIC NAME: 4-(chloromethyl)-6,7-bis(oxidanyl)chromen-2-one
MOLECULAR FORMULA: C10H7ClO4
MOLECULAR WEIGHT: 226.61318
SMILES: C1=C(C2=CC(=C(C=C2OC1=O)O)O)CCl
Structure:
CAS RN: 19040-71-2
CAS Name: 4-(chloromethyl)-7,8-dihydroxy-1-benzopyran-2-one
OPENEYE Name: 4-(chloromethyl)-7,8-dihydroxy-chromen-2-one
IUPAC Name: 4-(chloromethyl)-7,8-dihydroxychromen-2-one
SYSTEMATIC NAME: 4-(chloromethyl)-7,8-bis(oxidanyl)chromen-2-one
MOLECULAR FORMULA: C10H7ClO4
MOLECULAR WEIGHT: 226.61318
SMILES: C1=CC(=C(C2=C1C(=CC(=O)O2)CCl)O)O
Structure:
CAS RN: 137988-02-4
CAS Name: 7-hydroxy-3-(4-nitrophenoxy)-1-benzopyran-4-one
OPENEYE Name: 7-hydroxy-3-(4-nitrophenoxy)chromen-4-one
IUPAC Name: 7-hydroxy-3-(4-nitrophenoxy)chromen-4-one
SYSTEMATIC NAME: 3-(4-nitrophenoxy)-7-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C15H9NO6
MOLECULAR WEIGHT: 299.23506
SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC2=COC3=C(C2=O)C=CC(=C3)O
Structure:
CAS RN: 127526-39-0
CAS Name: 3-(2-fluorophenyl)-7-hydroxy-1-benzopyran-4-one
OPENEYE Name: 3-(2-fluorophenyl)-7-hydroxy-chromen-4-one
IUPAC Name: 3-(2-fluorophenyl)-7-hydroxychromen-4-one
SYSTEMATIC NAME: 3-(2-fluorophenyl)-7-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C15H9FO3
MOLECULAR WEIGHT: 256.228563
SMILES: C1=CC=C(C(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)F
Structure:
CAS RN: 58640-72-5
CAS Name: 4-methylbenzoic acid [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] ester
OPENEYE Name: [2-[(Z)-(carbamothioylhydrazono)methyl]phenyl] 4-methylbenzoate
IUPAC Name: [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
SYSTEMATIC NAME: [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
MOLECULAR FORMULA: C16H15N3O2S
MOLECULAR WEIGHT: 313.3742
SMILES: CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2/C=N\NC(=S)N
Structure:
CAS RN: 83688-44-2
CAS Name: 3-hydroxy-8,9,10,11-tetrahydro-7H-cyclohepta[c][1]benzopyran-6-one
OPENEYE Name: 3-hydroxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-6-one
IUPAC Name: 3-hydroxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-6-one
SYSTEMATIC NAME: 3-oxidanyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-6-one
MOLECULAR FORMULA: C14H14O3
MOLECULAR WEIGHT: 230.25916
SMILES: C1CCC2=C(CC1)C(=O)OC3=C2C=CC(=C3)O
Structure:
CAS RN: 111223-97-3
CAS Name: (5Z)-3-(3-chlorophenyl)-5-[(4-nitrophenyl)methylidene]imidazolidine-2,4-dione
OPENEYE Name: (5Z)-3-(3-chlorophenyl)-5-[(4-nitrophenyl)methylene]imidazolidine-2,4-dione
IUPAC Name: (5Z)-3-(3-chlorophenyl)-5-[(4-nitrophenyl)methylidene]imidazolidine-2,4-dione
SYSTEMATIC NAME: (5Z)-3-(3-chlorophenyl)-5-[(4-nitrophenyl)methylidene]imidazolidine-2,4-dione
MOLECULAR FORMULA: C16H10ClN3O4
MOLECULAR WEIGHT: 343.7213
SMILES: C1=CC(=CC(=C1)Cl)N2C(=O)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/NC2=O
Structure:
CAS RN: 374600-90-5
CAS Name: (5Z)-1-(2-methylphenyl)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: (5Z)-1-(o-tolyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: (5Z)-1-(2-methylphenyl)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: (5Z)-1-(2-methylphenyl)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C16H13N3O2S
MOLECULAR WEIGHT: 311.35832
SMILES: CC1=CC=CC=C1N2C(=O)/C(=C\C3=CC=CN3)/C(=O)NC2=S
Structure:
CAS RN: 79851-71-1
CAS Name: (5Z)-5-[(4-chlorophenyl)methylidene]-3-methyl-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: (5Z)-5-[(4-chlorophenyl)methylene]-3-methyl-2-thioxo-imidazolidin-4-one
IUPAC Name: (5Z)-5-[(4-chlorophenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: (5Z)-5-[(4-chlorophenyl)methylidene]-3-methyl-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C11H9ClN2OS
MOLECULAR WEIGHT: 252.71996
SMILES: CN1C(=O)/C(=C/C2=CC=C(C=C2)Cl)/NC1=S
Structure:
CAS RN: 62468-54-6
CAS Name: (5Z)-3-(4-ethoxyphenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: (5Z)-3-(4-ethoxyphenyl)-5-(p-tolylmethylene)-2-thioxo-imidazolidin-4-one
IUPAC Name: (5Z)-3-(4-ethoxyphenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: (5Z)-3-(4-ethoxyphenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C19H18N2O2S
MOLECULAR WEIGHT: 338.42342
SMILES: CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)C)/NC2=S
Structure:
CAS RN: 171852-98-5
CAS Name: (5Z)-5-[(Z)-3-amino-2-cyano-3-(4-morpholinyl)prop-2-enylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl (5Z)-5-[(Z)-3-amino-2-cyano-3-morpholino-prop-2-enylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylate
IUPAC Name: ethyl (5Z)-5-[(Z)-3-amino-2-cyano-3-morpholin-4-ylprop-2-enylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: ethyl (5Z)-5-[(Z)-3-azanyl-2-cyano-3-morpholin-4-yl-prop-2-enylidene]-2-methyl-4-oxidanylidene-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C16H20N4O4
MOLECULAR WEIGHT: 332.3544
SMILES: CCOC(=O)C1=C(N/C(=C\C(=C(/N)\N2CCOCC2)\C#N)/C1=O)C
Structure:
CAS RN: 51517-88-5
CAS Name: 4-(1,2-dihydrotetrazol-5-ylidene)-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-(1,2-dihydrotetrazol-5-ylidene)cyclohexa-2,5-dien-1-one
IUPAC Name: 4-(1,2-dihydrotetrazol-5-ylidene)cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-(1,2-dihydro-1,2,3,4-tetrazol-5-ylidene)cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C7H6N4O
MOLECULAR WEIGHT: 162.14874
SMILES: C1=CC(=O)C=CC1=C2NNN=N2
Structure:
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