CAS RN: 62534-43-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H58N4O12
MOLECULAR WEIGHT: 822.94022
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C\NN5CCN(CC5)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: 26548-47-0
CAS Name: (4,5-dihydroxy-1-oxohexan-3-yl)ammonium chloride
OPENEYE Name: [2,3-dihydroxy-1-(2-oxoethyl)butyl]ammonium chloride
IUPAC Name: (4,5-dihydroxy-1-oxohexan-3-yl)azanium chloride
SYSTEMATIC NAME: [4,5-bis(oxidanyl)-1-oxidanylidene-hexan-3-yl]azanium chloride
MOLECULAR FORMULA: C6H14ClNO3
MOLECULAR WEIGHT: 183.63326
SMILES: CC(C(C(CC=O)[NH3+])O)O.[Cl-]
Structure:
CAS RN: 11078-23-2
CAS Name: 3-[[(10E,16E)-13-[(E)-12-[[amino(methylimino)methyl]amino]-4-methyldodec-8-en-2-yl]-5,7,9,19,21,23,27,29,30,31-decahydroxy-8,12,18,22,26-pentamethyl-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl]oxy]-3-oxopropanoic acid
OPENEYE Name: 3-[[(10E,16E)-13-[(E)-1,3-dimethyl-11-[(N'-methylcarbamimidoyl)amino]undec-7-enyl]-5,7,9,19,21,23,27,29,30,31-decahydroxy-8,12,18,22,26-pentamethyl-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl]oxy]-3-oxo-propanoic acid
IUPAC Name: 3-[[(10E,16E)-5,7,9,19,21,23,27,29,30,31-decahydroxy-8,12,18,22,26-pentamethyl-13-[(E)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl]oxy]-3-oxopropanoic acid
SYSTEMATIC NAME: 3-oxidanylidene-3-[[(10E,16E)-8,12,18,22,26-pentamethyl-13-[(E)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-5,7,9,19,21,23,27,29,30,31-decakis(oxidanyl)-15-oxidanylidene-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl]oxy]propanoic
MOLECULAR FORMULA: C54H95N3O17
MOLECULAR WEIGHT: 1058.342
SMILES: CC1CCC(C(C(CC(C(/C=C/C(=O)OC(C(/C=C/C(C(C(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CC(=O)O)O)O)C)O)C)C(C)CC(C)CCC/C=C/CCCNC(=NC)N)C)O)O)C)O
Structure:
CAS RN: 67523-20-0
CAS Name: 2-amino-4,6-dimethyl-3-oxo-N1-[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.4.0]eicosan-6-yl]-N9-[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-
OPENEYE Name: 2-amino-N1-(3,10-diisopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.4.0]icosan-6-yl)-N9-(3,10-diisopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-3-oxo-phe
IUPAC Name: 2-amino-4,6-dimethyl-3-oxo-1-N-[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.4.0]icosan-6-yl]-9-N-[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan
SYSTEMATIC NAME: 2-azanyl-4,6-dimethyl-3-oxidanylidene-N1-[7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.4.0]icosan-6-yl]-N9-[7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-8-oxa-1,
MOLECULAR FORMULA: C63H88N12O16
MOLECULAR WEIGHT: 1269.44362
SMILES: CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C
Structure:
CAS RN: 11056-18-1
CAS Name: 3-[[(10E,12E,20E)-15-[(E,2S,4S)-12-[[amino(methylimino)methyl]amino]-4-methyldodec-8-en-2-yl]-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]-3-oxopropanoic a
OPENEYE Name: 3-[[(10E,12E,20E)-15-[(E,1S,3S)-1,3-dimethyl-11-[(N'-methylcarbamimidoyl)amino]undec-7-enyl]-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]-3-oxo-propanoic a
IUPAC Name: 3-oxo-3-[[(10E,12E,20E)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-15-[(E,2S,4S)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]propanoic aci
SYSTEMATIC NAME: 3-[[(10E,12E,20E)-8,14,18,22,26,30-hexamethyl-15-[(E,2S,4S)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-5,7,9,19,23,25,27,31,33,34,35-undecakis(oxidanyl)-17-oxidanylidene-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]-3-
MOLECULAR FORMULA: C59H103N3O18
MOLECULAR WEIGHT: 1142.45842
SMILES: CC1CCC(C(C(CC(C(/C=C/C(C(C(=O)OC(C(/C=C/C=C/C(C(C(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CC(=O)O)O)O)C)O)C)[C@@H](C)C[C@@H](C)CCC/C=C/CCCNC(=NC)N)C)O)C)O)O)C)O
Structure:
CAS RN: 18444-66-1
CAS Name: acetic acid [(E)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] ester
OPENEYE Name: [(E)-5-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate
IUPAC Name: [(E)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
SYSTEMATIC NAME: [(E)-2-methyl-6-oxidanyl-5-oxidanylidene-6-[(8S,9R,10R,13R,14S,16R,17R)-4,4,9,13,14-pentamethyl-2,16-bis(oxidanyl)-3,11-bis(oxidanylidene)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]hept-3-en-2-yl] ethanoate
MOLECULAR FORMULA: C32H44O8
MOLECULAR WEIGHT: 556.68696
SMILES: CC(=O)OC(C)(C)/C=C/C(=O)C(C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O)C)C)C)O)O
Structure:
CAS RN: 37577-75-6
CAS Name: 2-[12-hydroxy-9-[(Z)-3-hydroxy-3-(2-hydroxyphenyl)-1-oxoprop-2-enyl]-10,11-dimethoxy-3-methoxycarbonyl-1-oxo-8-naphtho[3,2-g][2]benzopyranyl]acetic acid
OPENEYE Name: 2-[12-hydroxy-9-[(Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-methoxycarbonyl-1-oxo-naphtho[3,2-g]isochromen-8-yl]acetic acid
IUPAC Name: 2-[12-hydroxy-9-[(Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-methoxycarbonyl-1-oxonaphtho[3,2-g]isochromen-8-yl]acetic acid
SYSTEMATIC NAME: 2-[9-[(Z)-3-(2-hydroxyphenyl)-3-oxidanyl-prop-2-enoyl]-10,11-dimethoxy-3-methoxycarbonyl-12-oxidanyl-1-oxidanylidene-naphtho[3,2-g]isochromen-8-yl]ethanoic acid
MOLECULAR FORMULA: C32H24O12
MOLECULAR WEIGHT: 600.52576
SMILES: COC1=C2C(=CC3=CC(=C(C(=C31)OC)C(=O)/C=C(/C4=CC=CC=C4O)\O)CC(=O)O)C=C5C=C(OC(=O)C5=C2O)C(=O)OC
Structure:
CAS RN: 11006-83-0
CAS Name: 2-[12-hydroxy-9-[(Z)-3-hydroxy-3-(2-hydroxyphenyl)-1-oxoprop-2-enyl]-10,11-dimethoxy-3-methoxycarbonyl-1-oxo-8-naphtho[3,2-g][2]benzopyranyl]acetic acid
OPENEYE Name: 2-[12-hydroxy-9-[(Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-methoxycarbonyl-1-oxo-naphtho[3,2-g]isochromen-8-yl]acetic acid
IUPAC Name: 2-[12-hydroxy-9-[(Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-methoxycarbonyl-1-oxonaphtho[3,2-g]isochromen-8-yl]acetic acid
SYSTEMATIC NAME: 2-[9-[(Z)-3-(2-hydroxyphenyl)-3-oxidanyl-prop-2-enoyl]-10,11-dimethoxy-3-methoxycarbonyl-12-oxidanyl-1-oxidanylidene-naphtho[3,2-g]isochromen-8-yl]ethanoic acid
MOLECULAR FORMULA: C32H24O12
MOLECULAR WEIGHT: 600.52576
SMILES: COC1=C2C(=CC3=CC(=C(C(=C31)OC)C(=O)/C=C(/C4=CC=CC=C4O)\O)CC(=O)O)C=C5C=C(OC(=O)C5=C2O)C(=O)OC
Structure:
CAS RN: 4589-33-7
CAS Name: 5-hydroxy-7-methoxy-3-methyl-2H-benzo[g]isoquinoline-6,9,10-trione
OPENEYE Name: 5-hydroxy-7-methoxy-3-methyl-2H-benzo[g]isoquinoline-6,9,10-trione
IUPAC Name: 5-hydroxy-7-methoxy-3-methyl-2H-benzo[g]isoquinoline-6,9,10-trione
SYSTEMATIC NAME: 7-methoxy-3-methyl-5-oxidanyl-2H-benzo[g]isoquinoline-6,9,10-trione
MOLECULAR FORMULA: C15H11NO5
MOLECULAR WEIGHT: 285.25154
SMILES: CC1=CC2=C(C3=C(C(=O)C=C(C3=O)OC)C(=O)C2=CN1)O
Structure:
CAS RN: 12656-40-5
CAS Name: (2Z)-N-[2-hydroxy-1-[(4S)-4-[(3-methoxy-5-oxo-2H-pyrrol-1-yl)-oxomethyl]-4,5-dihydrothiazol-2-yl]ethyl]-2-(nitrosomethylidene)-3H-thiazole-4-carboxamide
OPENEYE Name: (2Z)-N-[2-hydroxy-1-[(4S)-4-(3-methoxy-5-oxo-2H-pyrrole-1-carbonyl)-4,5-dihydrothiazol-2-yl]ethyl]-2-(nitrosomethylene)-3H-thiazole-4-carboxamide
IUPAC Name: (2Z)-N-[2-hydroxy-1-[(4S)-4-(3-methoxy-5-oxo-2H-pyrrole-1-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]ethyl]-2-(nitrosomethylidene)-3H-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: (2Z)-N-[1-[(4S)-4-[(3-methoxy-5-oxidanylidene-2H-pyrrol-1-yl)carbonyl]-4,5-dihydro-1,3-thiazol-2-yl]-2-oxidanyl-ethyl]-2-(nitrosomethylidene)-3H-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C16H17N5O6S2
MOLECULAR WEIGHT: 439.46608
SMILES: COC1=CC(=O)N(C1)C(=O)[C@H]2CSC(=N2)C(CO)NC(=O)C3=CS/C(=C\N=O)/N3
Structure:
CAS RN: 11048-91-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H16O10
MOLECULAR WEIGHT: 476.38854
SMILES: CC1=CC2=CC3=C(C(=C2C(=O)O1)O)OC4(C5C3O5)C(C6=C(O4)C=C7C(=C6)C(=O)C=C(C7=O)OC)O
Structure:
CAS RN: 2645-61-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H25ClN2O2
MOLECULAR WEIGHT: 372.8884
SMILES: CCC1=C[C@H]2C[C@]3([C@@H]1[NH+](C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC.[Cl-]
Structure:
CAS RN: 4961-40-4
CAS Name: N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine hydrochloride
OPENEYE Name: N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine hydrochloride
IUPAC Name: N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine hydrochloride
SYSTEMATIC NAME: N'-[2-(2-azanylethylamino)ethyl]ethane-1,2-diamine hydrochloride
MOLECULAR FORMULA: C6H19ClN4
MOLECULAR WEIGHT: 182.69486
SMILES: C(CNCCNCCN)N.Cl
Structure:
CAS RN: 70476-82-3
CAS Name: 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione hydrochloride
OPENEYE Name: 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione hydrochloride
IUPAC Name: 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione hydrochloride
SYSTEMATIC NAME: 1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis(oxidanyl)anthracene-9,10-dione hydrochloride
MOLECULAR FORMULA: C22H29ClN4O6
MOLECULAR WEIGHT: 480.94186
SMILES: C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO.Cl
Structure:
CAS RN: 5679-07-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H19N3O2S
MOLECULAR WEIGHT: 353.43806
SMILES: CC1=CC=CC=C1N2C(=O)C3=CC4=C(CC(OC4)(C)C)N=C3NC2=S
Structure:
CAS RN: 171853-11-5
CAS Name: (Z)-3-amino-3-[(3,4-dimethoxyphenyl)methylamino]-2-[(Z)-(3-oxo-1H-indol-2-ylidene)methyl]-2-propenenitrile
OPENEYE Name: (Z)-3-amino-3-[(3,4-dimethoxyphenyl)methylamino]-2-[(Z)-(3-oxoindolin-2-ylidene)methyl]prop-2-enenitrile
IUPAC Name: (Z)-3-amino-3-[(3,4-dimethoxyphenyl)methylamino]-2-[(Z)-(3-oxo-1H-indol-2-ylidene)methyl]prop-2-enenitrile
SYSTEMATIC NAME: (Z)-3-azanyl-3-[(3,4-dimethoxyphenyl)methylamino]-2-[(Z)-(3-oxidanylidene-1H-indol-2-ylidene)methyl]prop-2-enenitrile
MOLECULAR FORMULA: C21H20N4O3
MOLECULAR WEIGHT: 376.4085
SMILES: COC1=C(C=C(C=C1)CN/C(=C(/C=C\2/C(=O)C3=CC=CC=C3N2)\C#N)/N)OC
Structure:
CAS RN: 73855-59-1
CAS Name: (5E)-5-(1H-indol-3-ylmethylidene)-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: (5E)-5-(1H-indol-3-ylmethylene)-2-thioxo-thiazolidin-4-one
IUPAC Name: (5E)-5-(1H-indol-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: (5E)-5-(1H-indol-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C12H8N2OS2
MOLECULAR WEIGHT: 260.33472
SMILES: C1=CC=C2C(=C1)C(=CN2)/C=C/3\C(=O)NC(=S)S3
Structure:
CAS RN: 46382-84-7
CAS Name: 1,3-dimethyl-5H-pyrido[4,3-b]indole
OPENEYE Name: 1,3-dimethyl-5H-pyrido[4,3-b]indole
IUPAC Name: 1,3-dimethyl-5H-pyrido[4,3-b]indole
SYSTEMATIC NAME: 1,3-dimethyl-5H-pyrido[4,3-b]indole
MOLECULAR FORMULA: C13H12N2
MOLECULAR WEIGHT: 196.24778
SMILES: CC1=NC(=C2C3=CC=CC=C3NC2=C1)C
Structure:
CAS RN: 10579-93-8
CAS Name: (1S,4Z,9R)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
OPENEYE Name: (1S,4Z,9R)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene
IUPAC Name: (1S,4Z,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
SYSTEMATIC NAME: (1S,4Z,9R)-4,11,11-trimethyl-8-methylidene-bicyclo[7.2.0]undec-4-ene
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: C/C/1=C/CCC(=C)[C@@H]2CC([C@H]2CC1)(C)C
Structure:
CAS RN: 831-71-0
CAS Name: [(E)-(5-nitro-2-furanyl)methylideneamino]thiourea
OPENEYE Name: [(E)-(5-nitro-2-furyl)methyleneamino]thiourea
IUPAC Name: [(E)-(5-nitrofuran-2-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C6H6N4O3S
MOLECULAR WEIGHT: 214.20184
SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=S)N
Structure:
CAS RN: 300830-25-5
CAS Name: 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-[(4-hydroxy-3-methoxy-phenyl)methylene]-1,3-diphenyl-hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C24H18N2O5
MOLECULAR WEIGHT: 414.41012
SMILES: COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)O
Structure:
CAS RN: 59-87-0
CAS Name: [(E)-(5-nitro-2-furanyl)methylideneamino]urea
OPENEYE Name: [(E)-(5-nitro-2-furyl)methyleneamino]urea
IUPAC Name: [(E)-(5-nitrofuran-2-yl)methylideneamino]urea
SYSTEMATIC NAME: 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
MOLECULAR FORMULA: C6H6N4O4
MOLECULAR WEIGHT: 198.13624
SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)N
Structure:
CAS RN: 60051-85-6
CAS Name: [(E)-(5-nitro-2-furanyl)methylideneamino]urea
OPENEYE Name: [(E)-(5-nitro-2-furyl)methyleneamino]urea
IUPAC Name: [(E)-(5-nitrofuran-2-yl)methylideneamino]urea
SYSTEMATIC NAME: 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
MOLECULAR FORMULA: C6H6N4O4
MOLECULAR WEIGHT: 198.13624
SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)N
Structure:
CAS RN: 8027-71-2
CAS Name: [(E)-(5-nitro-2-furanyl)methylideneamino]urea
OPENEYE Name: [(E)-(5-nitro-2-furyl)methyleneamino]urea
IUPAC Name: [(E)-(5-nitrofuran-2-yl)methylideneamino]urea
SYSTEMATIC NAME: 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
MOLECULAR FORMULA: C6H6N4O4
MOLECULAR WEIGHT: 198.13624
SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)N
Structure:
CAS RN: 5071-32-9
CAS Name: 3-(4-chlorophenyl)-7-hydroxy-8-methyl-2-(trifluoromethyl)-1-benzopyran-4-one
OPENEYE Name: 3-(4-chlorophenyl)-7-hydroxy-8-methyl-2-(trifluoromethyl)chromen-4-one
IUPAC Name: 3-(4-chlorophenyl)-7-hydroxy-8-methyl-2-(trifluoromethyl)chromen-4-one
SYSTEMATIC NAME: 3-(4-chlorophenyl)-8-methyl-7-oxidanyl-2-(trifluoromethyl)chromen-4-one
MOLECULAR FORMULA: C17H10ClF3O3
MOLECULAR WEIGHT: 354.70771
SMILES: CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=C(C=C3)Cl)C(F)(F)F)O
Structure:
CAS RN: 86873-18-9
CAS Name: N'-(5-bromo-2-oxo-3-indolyl)-2-(4-morpholinyl)acetohydrazide
OPENEYE Name: N'-(5-bromo-2-oxo-indol-3-yl)-2-morpholino-acetohydrazide
IUPAC Name: N'-(5-bromo-2-oxoindol-3-yl)-2-morpholin-4-ylacetohydrazide
SYSTEMATIC NAME: N'-(5-bromanyl-2-oxidanylidene-indol-3-yl)-2-morpholin-4-yl-ethanehydrazide
MOLECULAR FORMULA: C14H15BrN4O3
MOLECULAR WEIGHT: 367.1979
SMILES: C1COCCN1CC(=O)NNC2=C3C=C(C=CC3=NC2=O)Br
Structure:
CAS RN: 73776-24-6
CAS Name: 3-(dihydroxymethylidene)-1H-quinoline-2,4-dione
OPENEYE Name: 3-(dihydroxymethylene)-1H-quinoline-2,4-dione
IUPAC Name: 3-(dihydroxymethylidene)-1H-quinoline-2,4-dione
SYSTEMATIC NAME: 3-[bis(oxidanyl)methylidene]-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C10H7NO4
MOLECULAR WEIGHT: 205.16688
SMILES: C1=CC=C2C(=C1)C(=O)C(=C(O)O)C(=O)N2
Structure:
CAS RN: 104058-03-9
CAS Name: [(E)-[1-(4-methylsulfonylphenyl)-2-(4-phenyl-1-piperazinyl)ethylidene]amino]urea
OPENEYE Name: [(E)-[1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethylidene]amino]urea
IUPAC Name: [(E)-[1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethylidene]amino]urea
SYSTEMATIC NAME: 1-[(E)-[1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethylidene]amino]urea
MOLECULAR FORMULA: C20H25N5O3S
MOLECULAR WEIGHT: 415.5092
SMILES: CS(=O)(=O)C1=CC=C(C=C1)/C(=N\NC(=O)N)/CN2CCN(CC2)C3=CC=CC=C3
Structure:
CAS RN: 117267-51-3
CAS Name: (1E)-8-bromo-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolylidene)-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
OPENEYE Name: (1E)-8-bromo-6-(2-chlorophenyl)-1-(5-methylimidazol-4-ylidene)-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
IUPAC Name: (1E)-8-bromo-6-(2-chlorophenyl)-1-(5-methylimidazol-4-ylidene)-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
SYSTEMATIC NAME: (1E)-8-bromanyl-6-(2-chlorophenyl)-1-(5-methylimidazol-4-ylidene)-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
MOLECULAR FORMULA: C20H14BrClN6
MOLECULAR WEIGHT: 453.72236
SMILES: CC\1=NC=N/C1=C\2/NN=C3N2C4=C(C=C(C=C4)Br)C(=NC3)C5=CC=CC=C5Cl
Structure:
CAS RN: 117291-09-5
CAS Name: (1E)-8-chloro-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolylidene)-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
OPENEYE Name: (1E)-8-chloro-6-(2-chlorophenyl)-1-(5-methylimidazol-4-ylidene)-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
IUPAC Name: (1E)-8-chloro-6-(2-chlorophenyl)-1-(5-methylimidazol-4-ylidene)-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
SYSTEMATIC NAME: (1E)-8-chloranyl-6-(2-chlorophenyl)-1-(5-methylimidazol-4-ylidene)-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
MOLECULAR FORMULA: C20H14Cl2N6
MOLECULAR WEIGHT: 409.27136
SMILES: CC\1=NC=N/C1=C\2/NN=C3N2C4=C(C=C(C=C4)Cl)C(=NC3)C5=CC=CC=C5Cl
Structure:
CAS RN: 125369-76-8
CAS Name: (2E,4E)-2-(4-methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile
OPENEYE Name: (2E,4E)-5-(2-nitrophenyl)-2-(p-tolyl)penta-2,4-dienenitrile
IUPAC Name: (2E,4E)-2-(4-methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile
SYSTEMATIC NAME: (2E,4E)-2-(4-methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile
MOLECULAR FORMULA: C18H14N2O2
MOLECULAR WEIGHT: 290.31596
SMILES: CC1=CC=C(C=C1)/C(=C\C=C\C2=CC=CC=C2[N+](=O)[O-])/C#N
Structure:
CAS RN: 607-05-6
CAS Name: [(E)-(1-ethyl-2-oxo-3-indolylidene)amino]thiourea
OPENEYE Name: [(E)-(1-ethyl-2-oxo-indolin-3-ylidene)amino]thiourea
IUPAC Name: [(E)-(1-ethyl-2-oxoindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-[(E)-(1-ethyl-2-oxidanylidene-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C11H12N4OS
MOLECULAR WEIGHT: 248.30418
SMILES: CCN1C2=CC=CC=C2/C(=N\NC(=S)N)/C1=O
Structure:
CAS RN: 41383-01-1
CAS Name: 5-(anilinomethylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-(anilinomethylene)-1,3-diethyl-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-(anilinomethylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 1,3-diethyl-5-(phenylazanylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C15H17N3O2S
MOLECULAR WEIGHT: 303.37938
SMILES: CCN1C(=O)C(=CNC2=CC=CC=C2)C(=O)N(C1=S)CC
Structure:
CAS RN: 72614-75-6
CAS Name: 4-[(2E)-2-(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)hydrazinyl]benzoic acid
OPENEYE Name: 4-[(2E)-2-(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridylidene)hydrazino]benzoic acid
IUPAC Name: 4-[(2E)-2-(5-cyano-1,4-dimethyl-2,6-dioxopyridin-3-ylidene)hydrazinyl]benzoic acid
SYSTEMATIC NAME: 4-[(2E)-2-[5-cyano-1,4-dimethyl-2,6-bis(oxidanylidene)pyridin-3-ylidene]hydrazinyl]benzoic acid
MOLECULAR FORMULA: C15H12N4O4
MOLECULAR WEIGHT: 312.28018
SMILES: CC\1=C(C(=O)N(C(=O)/C1=N/NC2=CC=C(C=C2)C(=O)O)C)C#N
Structure:
CAS RN: 70733-87-8
CAS Name: (6Z)-6-[mercapto(4-morpholinyl)methylidene]-2-methoxy-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-2-methoxy-6-[morpholino(sulfanyl)methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-2-methoxy-6-[morpholin-4-yl(sulfanyl)methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-2-methoxy-6-[morpholin-4-yl(sulfanyl)methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C12H15NO3S
MOLECULAR WEIGHT: 253.3174
SMILES: COC1=CC=C/C(=C(\N2CCOCC2)/S)/C1=O
Structure:
CAS RN: 169944-39-2
CAS Name: (E)-3-amino-2-[(Z)-(3-oxo-1H-indol-2-ylidene)methyl]-3-(1-piperidinyl)-2-propenenitrile
OPENEYE Name: (E)-3-amino-2-[(Z)-(3-oxoindolin-2-ylidene)methyl]-3-(1-piperidyl)prop-2-enenitrile
IUPAC Name: (E)-3-amino-2-[(Z)-(3-oxo-1H-indol-2-ylidene)methyl]-3-piperidin-1-ylprop-2-enenitrile
SYSTEMATIC NAME: (E)-3-azanyl-2-[(Z)-(3-oxidanylidene-1H-indol-2-ylidene)methyl]-3-piperidin-1-yl-prop-2-enenitrile
MOLECULAR FORMULA: C17H18N4O
MOLECULAR WEIGHT: 294.35102
SMILES: C1CCN(CC1)/C(=C(\C=C/2\C(=O)C3=CC=CC=C3N2)/C#N)/N
Structure:
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