CAS RN: 96313-95-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28O8
MOLECULAR WEIGHT: 420.45292
SMILES: CC(=O)O[C@H]1C(C2C\3C(OC2O1)OC(=O)/C3=C\C=C4CCCC(C4)(C)C)OC(=O)C
Structure:
CAS RN: 96845-55-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H13Br4ClN4O
MOLECULAR WEIGHT: 680.41242
SMILES: CC1(/C=C/C2=NC3=CC(=C(C(=C3C24CC(=O)N4/C=C(/C5=C1NC(=N5)Br)\Cl)Br)Br)Br)C
Structure:
CAS RN: 90295-68-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H18O15
MOLECULAR WEIGHT: 678.50842
SMILES: C1=CC(=CC=C1/C(=C\2/C(=O)C(=C(O2)O)C3=CC4=C5C(=C3)C(=CC(=C5OC4=O)O)C6=C(O/C(=C(\C7=CC=C(C=C7)O)/C(=O)O)/C6=O)O)/C(=O)O)O
Structure:
CAS RN: 116400-63-6
CAS Name: 3-hydroxy-1,2,4-trimethoxy-9-xanthenone
OPENEYE Name: 3-hydroxy-1,2,4-trimethoxy-xanthen-9-one
IUPAC Name: 3-hydroxy-1,2,4-trimethoxyxanthen-9-one
SYSTEMATIC NAME: 1,2,4-trimethoxy-3-oxidanyl-xanthen-9-one
MOLECULAR FORMULA: C16H14O6
MOLECULAR WEIGHT: 302.27876
SMILES: COC1=C(C(=C(C2=C1C(=O)C3=CC=CC=C3O2)OC)O)OC
Structure:
CAS RN: 33018-28-9
CAS Name: 3-hydroxy-2-methoxy-9-xanthenone
OPENEYE Name: 3-hydroxy-2-methoxy-xanthen-9-one
IUPAC Name: 3-hydroxy-2-methoxyxanthen-9-one
SYSTEMATIC NAME: 2-methoxy-3-oxidanyl-xanthen-9-one
MOLECULAR FORMULA: C14H10O4
MOLECULAR WEIGHT: 242.2268
SMILES: COC1=C(C=C2C(=C1)C(=O)C3=CC=CC=C3O2)O
Structure:
CAS RN: 34086-51-6
CAS Name: 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
IUPAC Name: 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 7-methoxy-3-(4-methoxyphenyl)-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C17H14O5
MOLECULAR WEIGHT: 298.29006
SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC
Structure:
CAS RN: 19064-77-8
CAS Name: N-(4-methylphenyl)-1-phenylmethanimine oxide
OPENEYE Name: 1-phenyl-N-(p-tolyl)methanimine oxide
IUPAC Name: N-(4-methylphenyl)-1-phenylmethanimine oxide
SYSTEMATIC NAME: N-(4-methylphenyl)-1-phenyl-methanimine oxide
MOLECULAR FORMULA: C14H13NO
MOLECULAR WEIGHT: 211.25912
SMILES: CC1=CC=C(C=C1)/[N+](=C/C2=CC=CC=C2)/[O-]
Structure:
CAS RN: 5486-61-3
CAS Name: (E)-3-phenyl-2-propenoic acid 2-(1-aziridinyl)but-3-enyl ester
OPENEYE Name: 2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate
IUPAC Name: 2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: 2-(aziridin-1-yl)but-3-enyl (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C15H17NO2
MOLECULAR WEIGHT: 243.30098
SMILES: C=CC(COC(=O)/C=C/C1=CC=CC=C1)N2CC2
Structure:
CAS RN: 92723-81-4
CAS Name: 1-[(6-oxo-2-sulfanylidene-5-pyrimidinylidene)methylamino]-3-phenylurea
OPENEYE Name: 1-[(6-oxo-2-thioxo-pyrimidin-5-ylidene)methylamino]-3-phenyl-urea
IUPAC Name: 1-[(6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methylamino]-3-phenylurea
SYSTEMATIC NAME: 1-[(6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methylamino]-3-phenyl-urea
MOLECULAR FORMULA: C12H11N5O2S
MOLECULAR WEIGHT: 289.31304
SMILES: C1=CC=C(C=C1)NC(=O)NNC=C2C=NC(=S)NC2=O
Structure:
CAS RN: 91094-04-1
CAS Name: 5-[[(4-nitrophenyl)hydrazo]methylidene]-2-sulfanylidene-4-pyrimidinone
OPENEYE Name: 5-[[2-(4-nitrophenyl)hydrazino]methylene]-2-thioxo-pyrimidin-4-one
IUPAC Name: 5-[[2-(4-nitrophenyl)hydrazinyl]methylidene]-2-sulfanylidenepyrimidin-4-one
SYSTEMATIC NAME: 5-[[2-(4-nitrophenyl)hydrazinyl]methylidene]-2-sulfanylidene-pyrimidin-4-one
MOLECULAR FORMULA: C11H9N5O3S
MOLECULAR WEIGHT: 291.28586
SMILES: C1=CC(=CC=C1NNC=C2C=NC(=S)NC2=O)[N+](=O)[O-]
Structure:
CAS RN: 92644-27-4
CAS Name: 3-nitro-N'-[(6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]benzohydrazide
OPENEYE Name: 3-nitro-N'-[(6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]benzohydrazide
IUPAC Name: 3-nitro-N'-[(6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]benzohydrazide
SYSTEMATIC NAME: 3-nitro-N'-[(6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]benzohydrazide
MOLECULAR FORMULA: C12H9N5O4S
MOLECULAR WEIGHT: 319.29596
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC=C2C=NC(=S)NC2=O
Structure:
CAS RN: 2038-44-0
CAS Name: N-[(Z)-1,2-dichloro-2-nitrosoethenyl]hydroxylamine
OPENEYE Name: N-[(Z)-1,2-dichloro-2-nitroso-vinyl]hydroxylamine
IUPAC Name: N-[(Z)-1,2-dichloro-2-nitrosoethenyl]hydroxylamine
SYSTEMATIC NAME: N-[(Z)-1,2-bis(chloranyl)-2-nitroso-ethenyl]hydroxylamine
MOLECULAR FORMULA: C2H2Cl2N2O2
MOLECULAR WEIGHT: 156.95548
SMILES: C(=C(\N=O)/Cl)(\NO)/Cl
Structure:
CAS RN: 89897-44-9
CAS Name: 5-[(2,2-dimethylhydrazinyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-[(2,2-dimethylhydrazino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-[(2,2-dimethylhydrazinyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-[(2,2-dimethylhydrazinyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C7H10N4O2S
MOLECULAR WEIGHT: 214.2449
SMILES: CN(C)NC=C1C(=O)NC(=S)NC1=O
Structure:
CAS RN: 38314-91-9
CAS Name: 1-methyl-6-nitro-9H-pyrido[3,4-b]indole
OPENEYE Name: 1-methyl-6-nitro-9H-pyrido[3,4-b]indole
IUPAC Name: 1-methyl-6-nitro-9H-pyrido[3,4-b]indole
SYSTEMATIC NAME: 1-methyl-6-nitro-9H-pyrido[3,4-b]indole
MOLECULAR FORMULA: C12H9N3O2
MOLECULAR WEIGHT: 227.21876
SMILES: CC1=NC=CC2=C1NC3=C2C=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 90147-21-0
CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid propan-2-yl ester
OPENEYE Name: isopropyl (E)-3-(5-nitro-2-furyl)prop-2-enoate
IUPAC Name: propan-2-yl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate
SYSTEMATIC NAME: propan-2-yl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate
MOLECULAR FORMULA: C10H11NO5
MOLECULAR WEIGHT: 225.19804
SMILES: CC(C)OC(=O)/C=C/C1=CC=C(O1)[N+](=O)[O-]
Structure:
CAS RN: 25061-78-3
CAS Name: 6-amino-2-(1-piperidinyl)-7,9-dihydropurine-8-thione
OPENEYE Name: 6-amino-2-(1-piperidyl)-7,9-dihydropurine-8-thione
IUPAC Name: 6-amino-2-piperidin-1-yl-7,9-dihydropurine-8-thione
SYSTEMATIC NAME: 6-azanyl-2-piperidin-1-yl-7,9-dihydropurine-8-thione
MOLECULAR FORMULA: C10H14N6S
MOLECULAR WEIGHT: 250.32336
SMILES: C1CCN(CC1)C2=NC3=C(C(=N2)N)NC(=S)N3
Structure:
CAS RN: 90563-49-8
CAS Name: 6-amino-2-(1-pyrrolidinyl)-7,9-dihydropurine-8-thione
OPENEYE Name: 6-amino-2-pyrrolidin-1-yl-7,9-dihydropurine-8-thione
IUPAC Name: 6-amino-2-pyrrolidin-1-yl-7,9-dihydropurine-8-thione
SYSTEMATIC NAME: 6-azanyl-2-pyrrolidin-1-yl-7,9-dihydropurine-8-thione
MOLECULAR FORMULA: C9H12N6S
MOLECULAR WEIGHT: 236.29678
SMILES: C1CCN(C1)C2=NC3=C(C(=N2)N)NC(=S)N3
Structure:
CAS RN: 90563-38-5
CAS Name: 6-amino-2-(4-morpholinyl)-7,9-dihydropurine-8-thione
OPENEYE Name: 6-amino-2-morpholino-7,9-dihydropurine-8-thione
IUPAC Name: 6-amino-2-morpholin-4-yl-7,9-dihydropurine-8-thione
SYSTEMATIC NAME: 6-azanyl-2-morpholin-4-yl-7,9-dihydropurine-8-thione
MOLECULAR FORMULA: C9H12N6OS
MOLECULAR WEIGHT: 252.29618
SMILES: C1COCCN1C2=NC3=C(C(=N2)N)NC(=S)N3
Structure:
CAS RN: 94206-39-0
CAS Name: 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-N-(2-pyridinyl)benzenesulfonamide
OPENEYE Name: 4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]-N-(2-pyridyl)benzenesulfonamide
IUPAC Name: 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-N-pyridin-2-ylbenzenesulfonamide
SYSTEMATIC NAME: 4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]-N-pyridin-2-yl-benzenesulfonamide
MOLECULAR FORMULA: C16H13N5O4S2
MOLECULAR WEIGHT: 403.43552
SMILES: C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC=C3C(=O)NC(=S)NC3=O
Structure:
CAS RN: 2209-28-1
CAS Name: 1-butyl-3-[[butylamino(sulfanylidene)methyl]amino]thiourea
OPENEYE Name: 1-butyl-3-(butylcarbamothioylamino)thiourea
IUPAC Name: 1-butyl-3-(butylcarbamothioylamino)thiourea
SYSTEMATIC NAME: 1-butyl-3-(butylcarbamothioylamino)thiourea
MOLECULAR FORMULA: C10H22N4S2
MOLECULAR WEIGHT: 262.43848
SMILES: CCCCNC(=S)NNC(=S)NCCCC
Structure:
CAS RN: 92295-35-7
CAS Name: 5-[[(4-nitrophenyl)hydrazo]methylidene]-6-propyl-2-sulfanylidene-4-pyrimidinone
OPENEYE Name: 5-[[2-(4-nitrophenyl)hydrazino]methylene]-6-propyl-2-thioxo-pyrimidin-4-one
IUPAC Name: 5-[[2-(4-nitrophenyl)hydrazinyl]methylidene]-6-propyl-2-sulfanylidenepyrimidin-4-one
SYSTEMATIC NAME: 5-[[2-(4-nitrophenyl)hydrazinyl]methylidene]-6-propyl-2-sulfanylidene-pyrimidin-4-one
MOLECULAR FORMULA: C14H15N5O3S
MOLECULAR WEIGHT: 333.3656
SMILES: CCCC1=NC(=S)NC(=O)C1=CNNC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 91843-78-6
CAS Name: 6-methyl-5-[[(4-nitrophenyl)hydrazo]methylidene]-2-sulfanylidene-4-pyrimidinone
OPENEYE Name: 6-methyl-5-[[2-(4-nitrophenyl)hydrazino]methylene]-2-thioxo-pyrimidin-4-one
IUPAC Name: 6-methyl-5-[[2-(4-nitrophenyl)hydrazinyl]methylidene]-2-sulfanylidenepyrimidin-4-one
SYSTEMATIC NAME: 6-methyl-5-[[2-(4-nitrophenyl)hydrazinyl]methylidene]-2-sulfanylidene-pyrimidin-4-one
MOLECULAR FORMULA: C12H11N5O3S
MOLECULAR WEIGHT: 305.31244
SMILES: CC1=NC(=S)NC(=O)C1=CNNC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 92964-46-0
CAS Name: 1-(2,4-dinitrophenyl)-3-(3-indolylidenemethylamino)urea
OPENEYE Name: 1-(2,4-dinitrophenyl)-3-(indol-3-ylidenemethylamino)urea
IUPAC Name: 1-(2,4-dinitrophenyl)-3-(indol-3-ylidenemethylamino)urea
SYSTEMATIC NAME: 1-(2,4-dinitrophenyl)-3-(indol-3-ylidenemethylamino)urea
MOLECULAR FORMULA: C16H12N6O5
MOLECULAR WEIGHT: 368.30368
SMILES: C1=CC=C2C(=C1)C(=CNNC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C=N2
Structure:
CAS RN: 93721-69-8
CAS Name: 1-(3-indolylidenemethyl)-2-(3-nitrophenyl)hydrazine
OPENEYE Name: 1-(indol-3-ylidenemethyl)-2-(3-nitrophenyl)hydrazine
IUPAC Name: 1-(indol-3-ylidenemethyl)-2-(3-nitrophenyl)hydrazine
SYSTEMATIC NAME: 1-(indol-3-ylidenemethyl)-2-(3-nitrophenyl)diazane
MOLECULAR FORMULA: C15H12N4O2
MOLECULAR WEIGHT: 280.28138
SMILES: C1=CC=C2C(=C1)C(=CNNC3=CC(=CC=C3)[N+](=O)[O-])C=N2
Structure:
CAS RN: 92428-70-1
CAS Name: 1-(2,5-dichlorophenyl)-2-(3-indolylidenemethyl)hydrazine
OPENEYE Name: 1-(2,5-dichlorophenyl)-2-(indol-3-ylidenemethyl)hydrazine
IUPAC Name: 1-(2,5-dichlorophenyl)-2-(indol-3-ylidenemethyl)hydrazine
SYSTEMATIC NAME: 1-[2,5-bis(chloranyl)phenyl]-2-(indol-3-ylidenemethyl)diazane
MOLECULAR FORMULA: C15H11Cl2N3
MOLECULAR WEIGHT: 304.17394
SMILES: C1=CC=C2C(=C1)C(=CNNC3=C(C=CC(=C3)Cl)Cl)C=N2
Structure:
CAS RN: 93867-68-6
CAS Name: 5-[[(2,4-dinitrophenyl)hydrazo]methylidene]-6-propyl-2-sulfanylidene-4-pyrimidinone
OPENEYE Name: 5-[[2-(2,4-dinitrophenyl)hydrazino]methylene]-6-propyl-2-thioxo-pyrimidin-4-one
IUPAC Name: 5-[[2-(2,4-dinitrophenyl)hydrazinyl]methylidene]-6-propyl-2-sulfanylidenepyrimidin-4-one
SYSTEMATIC NAME: 5-[[2-(2,4-dinitrophenyl)hydrazinyl]methylidene]-6-propyl-2-sulfanylidene-pyrimidin-4-one
MOLECULAR FORMULA: C14H14N6O5S
MOLECULAR WEIGHT: 378.36316
SMILES: CCCC1=NC(=S)NC(=O)C1=CNNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 92487-22-4
CAS Name: 1-(1,3-benzothiazol-2-yl)-2-(3-indolylidenemethyl)hydrazine
OPENEYE Name: 1-(1,3-benzothiazol-2-yl)-2-(indol-3-ylidenemethyl)hydrazine
IUPAC Name: 1-(1,3-benzothiazol-2-yl)-2-(indol-3-ylidenemethyl)hydrazine
SYSTEMATIC NAME: 1-(1,3-benzothiazol-2-yl)-2-(indol-3-ylidenemethyl)diazane
MOLECULAR FORMULA: C16H12N4S
MOLECULAR WEIGHT: 292.35828
SMILES: C1=CC=C2C(=C1)C(=CNNC3=NC4=CC=CC=C4S3)C=N2
Structure:
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