CAS RN: 89971-01-7
CAS Name: 2-(2,3-dimethoxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one
OPENEYE Name: 2-(2,3-dimethoxyphenyl)-5,7-dihydroxy-chromen-4-one
IUPAC Name: 2-(2,3-dimethoxyphenyl)-5,7-dihydroxychromen-4-one
SYSTEMATIC NAME: 2-(2,3-dimethoxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C17H14O6
MOLECULAR WEIGHT: 314.28946
SMILES: COC1=CC=CC(=C1OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Structure:
CAS RN: 53776-44-6
CAS Name: [[(1Z)-1-(8-oxo-[1,3]dioxolo[4,5-g]quinolin-7-ylidene)ethyl]amino]thiourea
OPENEYE Name: [[(1Z)-1-(8-oxo-[1,3]dioxolo[4,5-g]quinolin-7-ylidene)ethyl]amino]thiourea
IUPAC Name: [[(1Z)-1-(8-oxo-[1,3]dioxolo[4,5-g]quinolin-7-ylidene)ethyl]amino]thiourea
SYSTEMATIC NAME: 1-[[(1Z)-1-(8-oxidanylidene-[1,3]dioxolo[4,5-g]quinolin-7-ylidene)ethyl]amino]thiourea
MOLECULAR FORMULA: C13H12N4O3S
MOLECULAR WEIGHT: 304.32438
SMILES: C/C(=C/1\C=NC2=CC3=C(C=C2C1=O)OCO3)/NNC(=S)N
Structure:
CAS RN: 54350-28-6
CAS Name: (2Z)-5-chloro-2-[(E)-3-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzothiazole; 4-methylbenzenesulfonic acid
OPENEYE Name: (2Z)-5-chloro-2-[(E)-3-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzothiazole; 4-methylbenzenesulfonic acid
IUPAC Name: (2Z)-5-chloro-2-[(E)-3-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzothiazole; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: (2Z)-5-chloranyl-2-[(E)-3-(5-chloranyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzothiazole; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C28H27Cl2N2O3S3+
MOLECULAR WEIGHT: 606.62658
SMILES: CCN\1C2=C(C=CC(=C2)Cl)S/C1=C\C=C\C3=[N+](C4=C(S3)C=CC(=C4)Cl)CC.CC1=CC=C(C=C1)S(=O)(=O)O
Structure:
CAS RN: 88373-09-5
CAS Name: (Z)-6-(9-acridinylamino)hexoxy-(3-diazonio-1-cyclopenta-2,4-dienylidene)methanolate
OPENEYE Name: (Z)-6-(acridin-9-ylamino)hexoxy-(3-diazoniocyclopenta-2,4-dien-1-ylidene)methanolate
IUPAC Name: (Z)-6-(acridin-9-ylamino)hexoxy-(3-diazoniocyclopenta-2,4-dien-1-ylidene)methanolate
SYSTEMATIC NAME: (Z)-6-(acridin-9-ylamino)hexoxy-(3-diazoniocyclopenta-2,4-dien-1-ylidene)methanolate
MOLECULAR FORMULA: C25H24N4O2
MOLECULAR WEIGHT: 412.48366
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCCO/C(=C\4/C=CC(=C4)[N+]#N)/[O-]
Structure:
CAS RN: 83584-84-3
CAS Name: N-(1,4-dimethyl-5H-pyrido[4,3-b]indol-3-yl)acetamide
OPENEYE Name: N-(1,4-dimethyl-5H-pyrido[4,3-b]indol-3-yl)acetamide
IUPAC Name: N-(1,4-dimethyl-5H-pyrido[4,3-b]indol-3-yl)acetamide
SYSTEMATIC NAME: N-(1,4-dimethyl-5H-pyrido[4,3-b]indol-3-yl)ethanamide
MOLECULAR FORMULA: C15H15N3O
MOLECULAR WEIGHT: 253.2991
SMILES: CC1=C(N=C(C2=C1NC3=CC=CC=C32)C)NC(=O)C
Structure:
CAS RN: 82856-97-1
CAS Name: 2-nitro-5-propan-2-ylbenzene-1,4-diamine
OPENEYE Name: 2-isopropyl-5-nitro-benzene-1,4-diamine
IUPAC Name: 2-nitro-5-propan-2-ylbenzene-1,4-diamine
SYSTEMATIC NAME: 2-nitro-5-propan-2-yl-benzene-1,4-diamine
MOLECULAR FORMULA: C9H13N3O2
MOLECULAR WEIGHT: 195.21842
SMILES: CC(C)C1=CC(=C(C=C1N)[N+](=O)[O-])N
Structure:
CAS RN: 81485-17-8
CAS Name: N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,3-dimethyl-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxamide
OPENEYE Name: N-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-N,3-dimethyl-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxamide
IUPAC Name: N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,3-dimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide
SYSTEMATIC NAME: N,3-dimethyl-4-oxidanidyl-1-oxidanylidene-N-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]quinoxalin-1-ium-2-carboxamide
MOLECULAR FORMULA: C20H21N3O4
MOLECULAR WEIGHT: 367.39844
SMILES: CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)N(C)[C@@H](C)[C@@H](C3=CC=CC=C3)O
Structure:
CAS RN: 80234-33-9
CAS Name: (3E)-3-[[4-[[4-[(2Z)-2-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]phenyl]thio]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid
OPENEYE Name: (3E)-3-[[4-[4-[(2Z)-2-(3-carboxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]sulfanylphenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid
IUPAC Name: (3E)-3-[[4-[4-[(2Z)-2-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]sulfanylphenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
SYSTEMATIC NAME: (3E)-3-[[4-[4-[(2Z)-2-(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]sulfanylphenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid
MOLECULAR FORMULA: C26H18N4O6S
MOLECULAR WEIGHT: 514.50932
SMILES: C1=CC(=CC=C1N/N=C/2\C=CC(=O)C(=C2)C(=O)O)SC3=CC=C(C=C3)N/N=C\4/C=CC(=O)C(=C4)C(=O)O
Structure:
CAS RN: 106521-34-0
CAS Name: N-[3-(dimethylamino)-4-[(3-nitro-9-acridinyl)amino]phenyl]methanesulfonamide dihydrochloride
OPENEYE Name: N-[3-(dimethylamino)-4-[(3-nitroacridin-9-yl)amino]phenyl]methanesulfonamide dihydrochloride
IUPAC Name: N-[3-(dimethylamino)-4-[(3-nitroacridin-9-yl)amino]phenyl]methanesulfonamide dihydrochloride
SYSTEMATIC NAME: N-[3-(dimethylamino)-4-[(3-nitroacridin-9-yl)amino]phenyl]methanesulfonamide dihydrochloride
MOLECULAR FORMULA: C22H23Cl2N5O4S
MOLECULAR WEIGHT: 524.42012
SMILES: CN(C)C1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)[N+](=O)[O-].Cl.Cl
Structure:
CAS RN: 105275-76-1
CAS Name: 5,6,7-trimethyl-1H-imidazo[4,5-b]pyridin-2-amine
OPENEYE Name: 5,6,7-trimethyl-1H-imidazo[4,5-b]pyridin-2-amine
IUPAC Name: 5,6,7-trimethyl-1H-imidazo[4,5-b]pyridin-2-amine
SYSTEMATIC NAME: 5,6,7-trimethyl-1H-imidazo[4,5-b]pyridin-2-amine
MOLECULAR FORMULA: C9H12N4
MOLECULAR WEIGHT: 176.21838
SMILES: CC1=C(C2=C(N=C1C)N=C(N2)N)C
Structure:
CAS RN: 78776-54-2
CAS Name: 5,7-dihydroxy-2-(4-methoxyphenyl)-1-benzopyrylium-4-carboxylic acid chloride
OPENEYE Name: 5,7-dihydroxy-2-(4-methoxyphenyl)chromenylium-4-carboxylic acid chloride
IUPAC Name: 5,7-dihydroxy-2-(4-methoxyphenyl)chromenylium-4-carboxylic acid chloride
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-5,7-bis(oxidanyl)chromenylium-4-carboxylic acid chloride
MOLECULAR FORMULA: C17H13ClO6
MOLECULAR WEIGHT: 348.73452
SMILES: COC1=CC=C(C=C1)C2=[O+]C3=CC(=CC(=C3C(=C2)C(=O)O)O)O.[Cl-]
Structure:
CAS RN: 76708-70-8
CAS Name: N-[3-methoxy-4-[(4-nitro-9-acridinyl)amino]phenyl]methanesulfonamide
OPENEYE Name: N-[3-methoxy-4-[(4-nitroacridin-9-yl)amino]phenyl]methanesulfonamide
IUPAC Name: N-[3-methoxy-4-[(4-nitroacridin-9-yl)amino]phenyl]methanesulfonamide
SYSTEMATIC NAME: N-[3-methoxy-4-[(4-nitroacridin-9-yl)amino]phenyl]methanesulfonamide
MOLECULAR FORMULA: C21H18N4O5S
MOLECULAR WEIGHT: 438.45642
SMILES: COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)[N+](=O)[O-]
Structure:
CAS RN: 76135-36-9
CAS Name: 1-(2-furanyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
OPENEYE Name: 1-(2-furyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
IUPAC Name: 1-(furan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
SYSTEMATIC NAME: 1-(furan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
MOLECULAR FORMULA: C16H10N2O3
MOLECULAR WEIGHT: 278.2622
SMILES: C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C4=CC=CO4)C(=O)O
Structure:
CAS RN: 75240-22-1
CAS Name: acetic acid; 4-ethyl-1-methyl-5H-pyrido[4,3-b]indol-3-amine
OPENEYE Name: acetic acid; 4-ethyl-1-methyl-5H-pyrido[4,3-b]indol-3-amine
IUPAC Name: acetic acid; 4-ethyl-1-methyl-5H-pyrido[4,3-b]indol-3-amine
SYSTEMATIC NAME: ethanoic acid; 4-ethyl-1-methyl-5H-pyrido[4,3-b]indol-3-amine
MOLECULAR FORMULA: C16H19N3O2
MOLECULAR WEIGHT: 285.34096
SMILES: CCC1=C(N=C(C2=C1NC3=CC=CC=C32)C)N.CC(=O)O
Structure:
CAS RN: 75240-14-1
CAS Name: acetic acid; 1-(phenylmethyl)-5H-pyrido[4,3-b]indol-3-amine
OPENEYE Name: acetic acid; 1-benzyl-5H-pyrido[4,3-b]indol-3-amine
IUPAC Name: acetic acid; 1-benzyl-5H-pyrido[4,3-b]indol-3-amine
SYSTEMATIC NAME: ethanoic acid; 1-(phenylmethyl)-5H-pyrido[4,3-b]indol-3-amine
MOLECULAR FORMULA: C20H19N3O2
MOLECULAR WEIGHT: 333.38376
SMILES: CC(=O)O.C1=CC=C(C=C1)CC2=C3C4=CC=CC=C4NC3=CC(=N2)N
Structure:
CAS RN: 75240-12-9
CAS Name: acetic acid; 1-propyl-5H-pyrido[4,3-b]indol-3-amine
OPENEYE Name: acetic acid; 1-propyl-5H-pyrido[4,3-b]indol-3-amine
IUPAC Name: acetic acid; 1-propyl-5H-pyrido[4,3-b]indol-3-amine
SYSTEMATIC NAME: ethanoic acid; 1-propyl-5H-pyrido[4,3-b]indol-3-amine
MOLECULAR FORMULA: C16H19N3O2
MOLECULAR WEIGHT: 285.34096
SMILES: CCCC1=C2C3=CC=CC=C3NC2=CC(=N1)N.CC(=O)O
Structure:
CAS RN: 74011-12-4
CAS Name: 1,8-dimethyl-5H-pyrido[4,3-b]indol-3-amine
OPENEYE Name: 1,8-dimethyl-5H-pyrido[4,3-b]indol-3-amine
IUPAC Name: 1,8-dimethyl-5H-pyrido[4,3-b]indol-3-amine
SYSTEMATIC NAME: 1,8-dimethyl-5H-pyrido[4,3-b]indol-3-amine
MOLECULAR FORMULA: C13H13N3
MOLECULAR WEIGHT: 211.26242
SMILES: CC1=CC2=C(C=C1)NC3=CC(=NC(=C32)C)N
Structure:
CAS RN: 72738-99-9
CAS Name: N-[4-(9-acridinylamino)-3-nitrophenyl]methanesulfonamide
OPENEYE Name: N-[4-(acridin-9-ylamino)-3-nitro-phenyl]methanesulfonamide
IUPAC Name: N-[4-(acridin-9-ylamino)-3-nitrophenyl]methanesulfonamide
SYSTEMATIC NAME: N-[4-(acridin-9-ylamino)-3-nitro-phenyl]methanesulfonamide
MOLECULAR FORMULA: C20H16N4O4S
MOLECULAR WEIGHT: 408.43044
SMILES: CS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)[N+](=O)[O-]
Structure:
CAS RN: 72738-98-8
CAS Name: N-[4-(9-acridinylamino)-2-nitrophenyl]methanesulfonamide
OPENEYE Name: N-[4-(acridin-9-ylamino)-2-nitro-phenyl]methanesulfonamide
IUPAC Name: N-[4-(acridin-9-ylamino)-2-nitrophenyl]methanesulfonamide
SYSTEMATIC NAME: N-[4-(acridin-9-ylamino)-2-nitro-phenyl]methanesulfonamide
MOLECULAR FORMULA: C20H16N4O4S
MOLECULAR WEIGHT: 408.43044
SMILES: CS(=O)(=O)NC1=C(C=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)[N+](=O)[O-]
Structure:
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