CAS RN: 12794-13-7
CAS Name: 3,6-diamino-N-[(6Z)-3-[(4S,6R)-2-amino-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]-4-hydroxyhexanamide
OPENEYE Name: 3,6-diamino-N-[(6Z)-3-[(4S,6R)-2-amino-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-6-(ureidomethylene)-1,4,7,10,13-pentazacyclohexadec-15-yl]-4-hydroxy-hexanamide
IUPAC Name: 3,6-diamino-N-[(6Z)-3-[(4S,6R)-2-amino-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]-4-hydroxyhexanamide
SYSTEMATIC NAME: N-[(6Z)-6-[(aminocarbonylamino)methylidene]-3-[(4S,6R)-2-azanyl-4-oxidanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentakis(oxidanylidene)-1,4,7,10,13-pentazacyclohexadec-15-yl]-3,6-bis(azanyl)-4-oxidanyl-hexanamide
MOLECULAR FORMULA: C25H43N13O11
MOLECULAR WEIGHT: 701.68942
SMILES: C1[C@@H](NC(=N[C@H]1O)N)C2C(=O)NCC(C(=O)NC(C(=O)NC(C(=O)N/C(=C\NC(=O)N)/C(=O)N2)CO)CO)NC(=O)CC(C(CCN)O)N
Structure:
CAS RN: 97500-78-2
CAS Name: 2-[[1-(5-bromo-1H-indol-3-yl)-16-oxohexadecyl]amino]-3-(1H-indol-3-yl)propanoic acid
OPENEYE Name: 2-[[1-(5-bromo-1H-indol-3-yl)-16-oxo-hexadecyl]amino]-3-(1H-indol-3-yl)propanoic acid
IUPAC Name: 2-[[1-(5-bromo-1H-indol-3-yl)-16-oxohexadecyl]amino]-3-(1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: 2-[[1-(5-bromanyl-1H-indol-3-yl)-16-oxidanylidene-hexadecyl]amino]-3-(1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C35H46BrN3O3
MOLECULAR WEIGHT: 636.66204
SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(CCCCCCCCCCCCCCC=O)C3=CNC4=C3C=C(C=C4)Br
Structure:
CAS RN: 102418-21-3
CAS Name: 3-[4-(phenoxymethyl)phenyl]-N,N-dipropyl-1-propanamine
OPENEYE Name: 3-[4-(phenoxymethyl)phenyl]-N,N-dipropyl-propan-1-amine
IUPAC Name: 3-[4-(phenoxymethyl)phenyl]-N,N-dipropylpropan-1-amine
SYSTEMATIC NAME: 3-[4-(phenoxymethyl)phenyl]-N,N-dipropyl-propan-1-amine
MOLECULAR FORMULA: C22H31NO
MOLECULAR WEIGHT: 325.48764
SMILES: CCCN(CCC)CCCC1=CC=C(C=C1)COC2=CC=CC=C2
Structure:
CAS RN: 102433-96-5
CAS Name: N,N-diethyl-2-[4-[(E)-2-phenylethenyl]phenoxy]ethanamine hydrochloride
OPENEYE Name: N,N-diethyl-2-[4-[(E)-styryl]phenoxy]ethanamine hydrochloride
IUPAC Name: N,N-diethyl-2-[4-[(E)-2-phenylethenyl]phenoxy]ethanamine hydrochloride
SYSTEMATIC NAME: N,N-diethyl-2-[4-[(E)-2-phenylethenyl]phenoxy]ethanamine hydrochloride
MOLECULAR FORMULA: C20H26ClNO
MOLECULAR WEIGHT: 331.87954
SMILES: CCN(CC)CCOC1=CC=C(C=C1)/C=C/C2=CC=CC=C2.Cl
Structure:
CAS RN: 102433-89-6
CAS Name: 2-chloro-N-(2-chloroethyl)-N-ethyl-2-phenoxyethanamine oxide hydrochloride
OPENEYE Name: 2-chloro-N-(2-chloroethyl)-N-ethyl-2-phenoxy-ethanamine oxide hydrochloride
IUPAC Name: 2-chloro-N-(2-chloroethyl)-N-ethyl-2-phenoxyethanamine oxide hydrochloride
SYSTEMATIC NAME: 2-chloranyl-N-(2-chloroethyl)-N-ethyl-2-phenoxy-ethanamine oxide hydrochloride
MOLECULAR FORMULA: C12H18Cl3NO2
MOLECULAR WEIGHT: 314.63582
SMILES: CC[N+](CCCl)(CC(OC1=CC=CC=C1)Cl)[O-].Cl
Structure:
CAS RN: 102433-87-4
CAS Name: N,N-bis(2-chloroethyl)-2-methoxyethanamine oxide hydrochloride
OPENEYE Name: N,N-bis(2-chloroethyl)-2-methoxy-ethanamine oxide hydrochloride
IUPAC Name: N,N-bis(2-chloroethyl)-2-methoxyethanamine oxide hydrochloride
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2-methoxy-ethanamine oxide hydrochloride
MOLECULAR FORMULA: C7H16Cl3NO2
MOLECULAR WEIGHT: 252.56644
SMILES: COCC[N+](CCCl)(CCCl)[O-].Cl
Structure:
CAS RN: 102433-86-3
CAS Name: 2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine hydrochloride
OPENEYE Name: 2-[cyclohexyl(phenyl)methoxy]-N,N-diethyl-ethanamine hydrochloride
IUPAC Name: 2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine hydrochloride
SYSTEMATIC NAME: 2-[cyclohexyl(phenyl)methoxy]-N,N-diethyl-ethanamine hydrochloride
MOLECULAR FORMULA: C19H32ClNO
MOLECULAR WEIGHT: 325.91648
SMILES: CCN(CC)CCOC(C1CCCCC1)C2=CC=CC=C2.Cl
Structure:
CAS RN: 102433-85-2
CAS Name: 2-[4-[3-(4-chlorophenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]phenoxy]-N,N-diethylethanamine
OPENEYE Name: 2-[4-[3-(4-chlorophenyl)chroman-4-yl]phenoxy]-N,N-diethyl-ethanamine
IUPAC Name: 2-[4-[3-(4-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]phenoxy]-N,N-diethylethanamine
SYSTEMATIC NAME: 2-[4-[3-(4-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]phenoxy]-N,N-diethyl-ethanamine
MOLECULAR FORMULA: C27H30ClNO2
MOLECULAR WEIGHT: 435.9856
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C2C(COC3=CC=CC=C23)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 102433-84-1
CAS Name: 2-butoxy-N,N-bis(2-chloroethyl)ethanamine oxide hydrochloride
OPENEYE Name: 2-butoxy-N,N-bis(2-chloroethyl)ethanamine oxide hydrochloride
IUPAC Name: 2-butoxy-N,N-bis(2-chloroethyl)ethanamine oxide hydrochloride
SYSTEMATIC NAME: 2-butoxy-N,N-bis(2-chloroethyl)ethanamine oxide hydrochloride
MOLECULAR FORMULA: C10H22Cl3NO2
MOLECULAR WEIGHT: 294.64618
SMILES: CCCCOCC[N+](CCCl)(CCCl)[O-].Cl
Structure:
CAS RN: 102433-83-0
CAS Name: N-(2-bromoethyl)-2-phenoxy-N-(2-phenoxyethyl)ethanamine hydrobromide
OPENEYE Name: N-(2-bromoethyl)-2-phenoxy-N-(2-phenoxyethyl)ethanamine hydrobromide
IUPAC Name: N-(2-bromoethyl)-2-phenoxy-N-(2-phenoxyethyl)ethanamine hydrobromide
SYSTEMATIC NAME: N-(2-bromoethyl)-2-phenoxy-N-(2-phenoxyethyl)ethanamine hydrobromide
MOLECULAR FORMULA: C18H23Br2NO2
MOLECULAR WEIGHT: 445.18872
SMILES: C1=CC=C(C=C1)OCCN(CCOC2=CC=CC=C2)CCBr.Br
Structure:
CAS RN: 102433-82-9
CAS Name: N-(2-bromoethyl)-2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine hydrobromide
OPENEYE Name: N-(2-bromoethyl)-2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine hydrobromide
IUPAC Name: N-(2-bromoethyl)-2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine hydrobromide
SYSTEMATIC NAME: N-(2-bromoethyl)-2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine hydrobromide
MOLECULAR FORMULA: C20H27Br2NO2
MOLECULAR WEIGHT: 473.24188
SMILES: CC1=CC=C(C=C1)OCCN(CCOC2=CC=C(C=C2)C)CCBr.Br
Structure:
CAS RN: 102433-81-8
CAS Name: N-(2-bromoethyl)-2-(2-methylphenoxy)-N-[2-(2-methylphenoxy)ethyl]ethanamine hydrobromide
OPENEYE Name: N-(2-bromoethyl)-2-(2-methylphenoxy)-N-[2-(2-methylphenoxy)ethyl]ethanamine hydrobromide
IUPAC Name: N-(2-bromoethyl)-2-(2-methylphenoxy)-N-[2-(2-methylphenoxy)ethyl]ethanamine hydrobromide
SYSTEMATIC NAME: N-(2-bromoethyl)-2-(2-methylphenoxy)-N-[2-(2-methylphenoxy)ethyl]ethanamine hydrobromide
MOLECULAR FORMULA: C20H27Br2NO2
MOLECULAR WEIGHT: 473.24188
SMILES: CC1=CC=CC=C1OCCN(CCOC2=CC=CC=C2C)CCBr.Br
Structure:
CAS RN: 102433-79-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H28O10
MOLECULAR WEIGHT: 440.44102
SMILES: CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)C)([C@]3([C@@H]([C@H]([C@@](C34CO4)(O2)O)O)OC(=O)C)C)COC(=O)C
Structure:
CAS RN: 95858-92-7
CAS Name: 7-chloro-1-[2-(2-methylphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
OPENEYE Name: 7-chloro-1-[2-(o-tolyl)ethyl]-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
IUPAC Name: 7-chloro-1-[2-(2-methylphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
SYSTEMATIC NAME: 7-chloranyl-1-[2-(2-methylphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
MOLECULAR FORMULA: C24H19ClN4
MOLECULAR WEIGHT: 398.88746
SMILES: CC1=CC=CC=C1CCC2=NN=C3N2C4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5
Structure:
CAS RN: 95858-91-6
CAS Name: 7-chloro-1-[2-(2-methoxyphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
OPENEYE Name: 7-chloro-1-[2-(2-methoxyphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
IUPAC Name: 7-chloro-1-[2-(2-methoxyphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
SYSTEMATIC NAME: 7-chloranyl-1-[2-(2-methoxyphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
MOLECULAR FORMULA: C24H19ClN4O
MOLECULAR WEIGHT: 414.88686
SMILES: COC1=CC=CC=C1CCC2=NN=C3N2C4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5
Structure:
CAS RN: 95858-87-0
CAS Name: 7-chloro-1-[(E)-2-(2-methoxyphenyl)ethenyl]-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
OPENEYE Name: 7-chloro-1-[(E)-2-(2-methoxyphenyl)vinyl]-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
IUPAC Name: 7-chloro-1-[(E)-2-(2-methoxyphenyl)ethenyl]-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
SYSTEMATIC NAME: 7-chloranyl-1-[(E)-2-(2-methoxyphenyl)ethenyl]-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
MOLECULAR FORMULA: C24H17ClN4O
MOLECULAR WEIGHT: 412.87098
SMILES: COC1=CC=CC=C1/C=C/C2=NN=C3N2C4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5
Structure:
CAS RN: 95858-85-8
CAS Name: 7-chloro-1-[(E)-2-(2-chlorophenyl)ethenyl]-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
OPENEYE Name: 7-chloro-1-[(E)-2-(2-chlorophenyl)vinyl]-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
IUPAC Name: 7-chloro-1-[(E)-2-(2-chlorophenyl)ethenyl]-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
SYSTEMATIC NAME: 7-chloranyl-1-[(E)-2-(2-chlorophenyl)ethenyl]-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
MOLECULAR FORMULA: C23H14Cl2N4
MOLECULAR WEIGHT: 417.29006
SMILES: C1=CC=C(C=C1)C2=NC3=NN=C(N3C4=C2C=C(C=C4)Cl)/C=C/C5=CC=CC=C5Cl
Structure:
CAS RN: 97634-06-5
CAS Name: 2-[3-[4-(4-phenyl-2-quinolinyl)-1-piperazinyl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one hydrate hydrochloride
OPENEYE Name: 2-[3-[4-(4-phenyl-2-quinolyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one hydrate hydrochloride
IUPAC Name: 2-[3-[4-(4-phenylquinolin-2-yl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one hydrate hydrochloride
SYSTEMATIC NAME: 2-[3-[4-(4-phenylquinolin-2-yl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one hydrate hydrochloride
MOLECULAR FORMULA: C28H31ClN6O2
MOLECULAR WEIGHT: 519.03774
SMILES: C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=NC5=CC=CC=C5C(=C4)C6=CC=CC=C6.O.Cl
Structure:
CAS RN: 93299-72-0
CAS Name: 1-thiophen-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
OPENEYE Name: 1-(2-thienyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
IUPAC Name: 1-thiophen-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SYSTEMATIC NAME: 1-thiophen-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
MOLECULAR FORMULA: C13H9N3OS
MOLECULAR WEIGHT: 255.29506
SMILES: C1C2=NN=C(N2C3=CC=CC=C3O1)C4=CC=CS4
Structure:
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