CAS RN: 123883-88-5
CAS Name: (4-azido-2-nitrophenyl) phosphono hydrogen phosphate
OPENEYE Name: (4-azido-2-nitro-phenyl) phosphono hydrogen phosphate
IUPAC Name: (4-azido-2-nitrophenyl) phosphono hydrogen phosphate
SYSTEMATIC NAME: (4-azido-2-nitro-phenyl) phosphono hydrogen phosphate
MOLECULAR FORMULA: C6H6N4O9P2
MOLECULAR WEIGHT: 340.080762
SMILES: C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])OP(=O)(O)OP(=O)(O)O
Structure:
CAS RN: 123882-89-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H36Cl2N2O2
MOLECULAR WEIGHT: 479.48224
SMILES: C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCC3CC4CCCC5=C4C(=C(C=C5)Cl)CN3.Cl
Structure:
CAS RN: 108320-79-2
CAS Name: N-methylcarbamic acid (11-methyl-6H-pyrido[4,3-b]carbazol-5-yl)methyl ester
OPENEYE Name: (11-methyl-6H-pyrido[4,3-b]carbazol-5-yl)methyl N-methylcarbamate
IUPAC Name: (11-methyl-6H-pyrido[4,3-b]carbazol-5-yl)methyl N-methylcarbamate
SYSTEMATIC NAME: (11-methyl-6H-pyrido[4,3-b]carbazol-5-yl)methyl N-methylcarbamate
MOLECULAR FORMULA: C19H17N3O2
MOLECULAR WEIGHT: 319.35718
SMILES: CC1=C2C3=CC=CC=C3NC2=C(C4=C1C=NC=C4)COC(=O)NC
Structure:
CAS RN: 123847-40-5
CAS Name: 4-[[2-[[[4-(aminomethyl)cyclohexyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[[2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-5-guanidino-pentanoyl]amino]benzoate
IUPAC Name: ethyl 4-[[2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[[2-[[4-(aminomethyl)cyclohexyl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]benzoate
MOLECULAR FORMULA: C23H36N6O4
MOLECULAR WEIGHT: 460.56974
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C2CCC(CC2)CN
Structure:
CAS RN: 108278-70-2
CAS Name: 1-(2-methoxyethyl)-1-nitrosourea
OPENEYE Name: 1-(2-methoxyethyl)-1-nitroso-urea
IUPAC Name: 1-(2-methoxyethyl)-1-nitrosourea
SYSTEMATIC NAME: 1-(2-methoxyethyl)-1-nitroso-urea
MOLECULAR FORMULA: C4H9N3O3
MOLECULAR WEIGHT: 147.13256
SMILES: COCCN(C(=O)N)N=O
Structure:
CAS RN: 123847-23-4
CAS Name: 7-chloro-5-(2-iodophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
OPENEYE Name: 7-chloro-5-(2-iodophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
IUPAC Name: 7-chloro-5-(2-iodophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 7-chloranyl-5-(2-iodanylphenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C16H12ClIN2O
MOLECULAR WEIGHT: 410.63675
SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3I
Structure:
CAS RN: 123844-08-6
CAS Name: 3-amino-6-chloro-N-(diaminomethylidene)-5-[ethyl-[(2-methoxy-5-nitrophenyl)methyl]amino]-2-pyrazinecarboxamide
OPENEYE Name: 3-amino-6-chloro-N-(diaminomethylene)-5-[ethyl-[(2-methoxy-5-nitro-phenyl)methyl]amino]pyrazine-2-carboxamide
IUPAC Name: 3-amino-6-chloro-N-(diaminomethylidene)-5-[ethyl-[(2-methoxy-5-nitrophenyl)methyl]amino]pyrazine-2-carboxamide
SYSTEMATIC NAME: 3-azanyl-N-[bis(azanyl)methylidene]-6-chloranyl-5-[ethyl-[(2-methoxy-5-nitro-phenyl)methyl]amino]pyrazine-2-carboxamide
MOLECULAR FORMULA: C16H19ClN8O4
MOLECULAR WEIGHT: 422.82626
SMILES: CCN(CC1=C(C=CC(=C1)[N+](=O)[O-])OC)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N
Structure:
CAS RN: 108274-04-0
CAS Name: 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4,6,7-trimethyl-9-imidazo[1,2-a]purinone
OPENEYE Name: 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,6,7-trimethyl-imidazo[1,2-a]purin-9-one
IUPAC Name: 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6,7-trimethylimidazo[1,2-a]purin-9-one
SYSTEMATIC NAME: 3-[(3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4,6,7-trimethyl-imidazo[1,2-a]purin-9-one
MOLECULAR FORMULA: C15H19N5O5
MOLECULAR WEIGHT: 349.34186
SMILES: CC1=C(N2C(=O)C3=C(N(C2=N1)C)N(C=N3)C4[C@@H]([C@@H]([C@H](O4)CO)O)O)C
Structure:
CAS RN: 108248-08-4
CAS Name: N-methyl-N-(2-methylpropyl)-1,3-benzodioxol-5-amine
OPENEYE Name: N-isobutyl-N-methyl-1,3-benzodioxol-5-amine
IUPAC Name: N-methyl-N-(2-methylpropyl)-1,3-benzodioxol-5-amine
SYSTEMATIC NAME: N-methyl-N-(2-methylpropyl)-1,3-benzodioxol-5-amine
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CC(C)CN(C)C1=CC2=C(C=C1)OCO2
Structure:
CAS RN: 123811-36-9
CAS Name: N-[3-[[8-bromo-6-(dimethylamino)-9-purinyl]methyl]phenyl]formamide
OPENEYE Name: N-[3-[[8-bromo-6-(dimethylamino)purin-9-yl]methyl]phenyl]formamide
IUPAC Name: N-[3-[[8-bromo-6-(dimethylamino)purin-9-yl]methyl]phenyl]formamide
SYSTEMATIC NAME: N-[3-[[8-bromanyl-6-(dimethylamino)purin-9-yl]methyl]phenyl]methanamide
MOLECULAR FORMULA: C15H15BrN6O
MOLECULAR WEIGHT: 375.2232
SMILES: CN(C)C1=NC=NC2=C1N=C(N2CC3=CC(=CC=C3)NC=O)Br
Structure:
CAS RN: 123805-39-0
CAS Name: 4-[2,13-dihydroxy-13-[5-[5-(1-hydroxyundecyl)-2-oxolanyl]-2-oxolanyl]tridecyl]-2-methyl-2H-furan-5-one
OPENEYE Name: 4-[2,13-dihydroxy-13-[5-[5-(1-hydroxyundecyl)tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]tridecyl]-2-methyl-2H-furan-5-one
IUPAC Name: 4-[2,13-dihydroxy-13-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
SYSTEMATIC NAME: 4-[2,13-bis(oxidanyl)-13-[5-[5-(1-oxidanylundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
MOLECULAR FORMULA: C37H66O7
MOLECULAR WEIGHT: 622.91574
SMILES: CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC(CC3=CC(OC3=O)C)O)O)O
Structure:
CAS RN: 129212-94-8
CAS Name: 4-[2,13-dihydroxy-13-[5-[5-(1-hydroxyundecyl)-2-oxolanyl]-2-oxolanyl]tridecyl]-2-methyl-2H-furan-5-one
OPENEYE Name: 4-[2,13-dihydroxy-13-[5-[5-(1-hydroxyundecyl)tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]tridecyl]-2-methyl-2H-furan-5-one
IUPAC Name: 4-[2,13-dihydroxy-13-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
SYSTEMATIC NAME: 4-[2,13-bis(oxidanyl)-13-[5-[5-(1-oxidanylundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
MOLECULAR FORMULA: C37H66O7
MOLECULAR WEIGHT: 622.91574
SMILES: CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC(CC3=CC(OC3=O)C)O)O)O
Structure:
CAS RN: 140224-67-5
CAS Name: 4-[2,13-dihydroxy-13-[5-[5-(1-hydroxyundecyl)-2-oxolanyl]-2-oxolanyl]tridecyl]-2-methyl-2H-furan-5-one
OPENEYE Name: 4-[2,13-dihydroxy-13-[5-[5-(1-hydroxyundecyl)tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]tridecyl]-2-methyl-2H-furan-5-one
IUPAC Name: 4-[2,13-dihydroxy-13-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
SYSTEMATIC NAME: 4-[2,13-bis(oxidanyl)-13-[5-[5-(1-oxidanylundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
MOLECULAR FORMULA: C37H66O7
MOLECULAR WEIGHT: 622.91574
SMILES: CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC(CC3=CC(OC3=O)C)O)O)O
Structure:
CAS RN: 108203-25-4
CAS Name: 3-[2-cyanoethyl(hydroxy)amino]propanenitrile
OPENEYE Name: 3-[2-cyanoethyl(hydroxy)amino]propanenitrile
IUPAC Name: 3-[2-cyanoethyl(hydroxy)amino]propanenitrile
SYSTEMATIC NAME: 3-[2-cyanoethyl(oxidanyl)amino]propanenitrile
MOLECULAR FORMULA: C6H9N3O
MOLECULAR WEIGHT: 139.15516
SMILES: C(CN(CCC#N)O)C#N
Structure:
CAS RN: 123805-17-4
CAS Name: 4-amino-5-chloro-N-[[(2S)-2-pyrrolidinyl]methyl]-2,3-dihydrobenzofuran-7-carboxamide hydrochloride
OPENEYE Name: 4-amino-5-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]-2,3-dihydrobenzofuran-7-carboxamide hydrochloride
IUPAC Name: 4-amino-5-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide hydrochloride
SYSTEMATIC NAME: 4-azanyl-5-chloranyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide hydrochloride
MOLECULAR FORMULA: C14H19Cl2N3O2
MOLECULAR WEIGHT: 332.22556
SMILES: C1C[C@H](NC1)CNC(=O)C2=CC(=C(C3=C2OCC3)N)Cl.Cl
Structure:
CAS RN: 123795-30-2
CAS Name: N-(4,4-diphenylbutan-2-yl)formamide
OPENEYE Name: N-(1-methyl-3,3-diphenyl-propyl)formamide
IUPAC Name: N-(4,4-diphenylbutan-2-yl)formamide
SYSTEMATIC NAME: N-(4,4-diphenylbutan-2-yl)methanamide
MOLECULAR FORMULA: C17H19NO
MOLECULAR WEIGHT: 253.33886
SMILES: CC(CC(C1=CC=CC=C1)C2=CC=CC=C2)NC=O
Structure:
CAS RN: 123788-61-4
CAS Name: (1R,2S,3R,4R,5S,6S)-7-azabicyclo[4.1.0]heptane-2,3,4,5-tetrol
OPENEYE Name: (1R,2S,3R,4R,5S,6S)-7-azabicyclo[4.1.0]heptane-2,3,4,5-tetrol
IUPAC Name: (1R,2S,3R,4R,5S,6S)-7-azabicyclo[4.1.0]heptane-2,3,4,5-tetrol
SYSTEMATIC NAME: (1R,2S,3R,4R,5S,6S)-7-azabicyclo[4.1.0]heptane-2,3,4,5-tetrol
MOLECULAR FORMULA: C6H11NO4
MOLECULAR WEIGHT: 161.15584
SMILES: [C@H]12[C@H](N1)[C@@H]([C@H]([C@@H]([C@H]2O)O)O)O
Structure:
CAS RN: 123788-05-6
CAS Name: (1R)-1-(6-amino-3-pyridinyl)-2-(tert-butylamino)ethanol
OPENEYE Name: (1R)-1-(6-amino-3-pyridyl)-2-(tert-butylamino)ethanol
IUPAC Name: (1R)-1-(6-aminopyridin-3-yl)-2-(tert-butylamino)ethanol
SYSTEMATIC NAME: (1R)-1-(6-azanylpyridin-3-yl)-2-(tert-butylamino)ethanol
MOLECULAR FORMULA: C11H19N3O
MOLECULAR WEIGHT: 209.28806
SMILES: CC(C)(C)NC[C@@H](C1=CN=C(C=C1)N)O
Structure:
CAS RN: 123774-76-5
CAS Name: 4-[(3,4-dibutoxyphenyl)methyl]-1,3-dihydroimidazol-2-one
OPENEYE Name: 4-[(3,4-dibutoxyphenyl)methyl]-1,3-dihydroimidazol-2-one
IUPAC Name: 4-[(3,4-dibutoxyphenyl)methyl]-1,3-dihydroimidazol-2-one
SYSTEMATIC NAME: 4-[(3,4-dibutoxyphenyl)methyl]-1,3-dihydroimidazol-2-one
MOLECULAR FORMULA: C18H26N2O3
MOLECULAR WEIGHT: 318.41064
SMILES: CCCCOC1=C(C=C(C=C1)CC2=CNC(=O)N2)OCCCC
Structure:
CAS RN: 108131-97-1
CAS Name: 3-oxo-1,2,4,5,6,7-hexahydroindazole-5-carboxylic acid carboxy ester
OPENEYE Name: carboxy 3-oxo-1,2,4,5,6,7-hexahydroindazole-5-carboxylate
IUPAC Name: carboxy 3-oxo-1,2,4,5,6,7-hexahydroindazole-5-carboxylate
SYSTEMATIC NAME: carboxy 3-oxidanylidene-1,2,4,5,6,7-hexahydroindazole-5-carboxylate
MOLECULAR FORMULA: C9H10N2O5
MOLECULAR WEIGHT: 226.1861
SMILES: C1CC2=C(CC1C(=O)OC(=O)O)C(=O)NN2
Structure:
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