CAS RN: 40497-79-8
CAS Name: N6-[bis(4-chlorophenyl)methyl]-7H-purine-2,6-diamine
OPENEYE Name: N6-[bis(4-chlorophenyl)methyl]-7H-purine-2,6-diamine
IUPAC Name: 6-N-[bis(4-chlorophenyl)methyl]-7H-purine-2,6-diamine
SYSTEMATIC NAME: N6-[bis(4-chlorophenyl)methyl]-7H-purine-2,6-diamine
MOLECULAR FORMULA: C18H14Cl2N6
MOLECULAR WEIGHT: 385.24996
SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)NC3=NC(=NC4=C3NC=N4)N)Cl
Structure:
CAS RN: 28128-25-8
CAS Name: 2-bromo-7H-purin-6-amine
OPENEYE Name: 2-bromo-7H-purin-6-amine
IUPAC Name: 2-bromo-7H-purin-6-amine
SYSTEMATIC NAME: 2-bromanyl-7H-purin-6-amine
MOLECULAR FORMULA: C5H4BrN5
MOLECULAR WEIGHT: 214.02276
SMILES: C1=NC2=C(N1)C(=NC(=N2)Br)N
Structure:
CAS RN: 32403-47-7
CAS Name: 1-(1-adamantyl)-3-[[4-(diethylamino)phenyl]methylideneamino]thiourea
OPENEYE Name: 1-(1-adamantyl)-3-[[4-(diethylamino)phenyl]methyleneamino]thiourea
IUPAC Name: 1-(1-adamantyl)-3-[[4-(diethylamino)phenyl]methylideneamino]thiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-[[4-(diethylamino)phenyl]methylideneamino]thiourea
MOLECULAR FORMULA: C22H32N4S
MOLECULAR WEIGHT: 384.58128
SMILES: CCN(CC)C1=CC=C(C=C1)C=NNC(=S)NC23CC4CC(C2)CC(C4)C3
Structure:
CAS RN: 549478-39-9
CAS Name: 3-[(3-chloro-1-oxopropyl)amino]-2-thiophenecarboxylic acid methyl ester
OPENEYE Name: methyl 3-(3-chloropropanoylamino)thiophene-2-carboxylate
IUPAC Name: methyl 3-(3-chloropropanoylamino)thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-(3-chloranylpropanoylamino)thiophene-2-carboxylate
MOLECULAR FORMULA: C9H10ClNO3S
MOLECULAR WEIGHT: 247.6986
SMILES: COC(=O)C1=C(C=CS1)NC(=O)CCCl
Structure:
CAS RN: 10252-82-1
CAS Name: 4-(4-morpholinylsulfonyl)benzoate
OPENEYE Name: 4-morpholinosulfonylbenzoate
IUPAC Name: 4-morpholin-4-ylsulfonylbenzoate
SYSTEMATIC NAME: 4-morpholin-4-ylsulfonylbenzoate
MOLECULAR FORMULA: C11H12NO5S-
MOLECULAR WEIGHT: 270.28168
SMILES: C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)[O-]
Structure:
CAS RN: 218-34-8
CAS Name: quinolino[8,7-h]quinoline
OPENEYE Name: quinolino[8,7-h]quinoline
IUPAC Name: quinolino[8,7-h]quinoline
SYSTEMATIC NAME: quinolino[8,7-h]quinoline
MOLECULAR FORMULA: C16H10N2
MOLECULAR WEIGHT: 230.264
SMILES: C1=CC2=C(C3=C(C=C2)C4=C(C=CC=N4)C=C3)N=C1
Structure:
CAS RN: 4919-33-9
CAS Name: 2-(4-ethoxyphenyl)acetate
OPENEYE Name: 2-(4-ethoxyphenyl)acetate
IUPAC Name: 2-(4-ethoxyphenyl)acetate
SYSTEMATIC NAME: 2-(4-ethoxyphenyl)ethanoate
MOLECULAR FORMULA: C10H11O3-
MOLECULAR WEIGHT: 179.19254
SMILES: CCOC1=CC=C(C=C1)CC(=O)[O-]
Structure:
CAS RN: 7763-16-8
CAS Name: 5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid (4-nitrophenyl) ester
OPENEYE Name: (4-nitrophenyl) 5-amino-2-(benzyloxycarbonylamino)-5-oxo-pentanoate
IUPAC Name: (4-nitrophenyl) 5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
SYSTEMATIC NAME: (4-nitrophenyl) 5-azanyl-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate
MOLECULAR FORMULA: C19H19N3O7
MOLECULAR WEIGHT: 401.37006
SMILES: C1=CC=C(C=C1)COC(=O)NC(CCC(=O)N)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 116035-58-6
CAS Name: 3-[(4-bromophenyl)sulfonylamino]propanoate
OPENEYE Name: 3-[(4-bromophenyl)sulfonylamino]propanoate
IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]propanoate
SYSTEMATIC NAME: 3-[(4-bromophenyl)sulfonylamino]propanoate
MOLECULAR FORMULA: C9H9BrNO4S-
MOLECULAR WEIGHT: 307.14106
SMILES: C1=CC(=CC=C1S(=O)(=O)NCCC(=O)[O-])Br
Structure:
CAS RN: 20054-45-9
CAS Name: 2-mercapto-N-methylbenzamide
OPENEYE Name: N-methyl-2-sulfanyl-benzamide
IUPAC Name: N-methyl-2-sulfanylbenzamide
SYSTEMATIC NAME: N-methyl-2-sulfanyl-benzamide
MOLECULAR FORMULA: C8H9NOS
MOLECULAR WEIGHT: 167.22816
SMILES: CNC(=O)C1=CC=CC=C1S
Structure:
CAS RN: 58846-77-8
CAS Name: 2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: 2-decoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C16H32O6
MOLECULAR WEIGHT: 320.42168
SMILES: CCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
Structure:
CAS RN: 13927-77-0
CAS Name: N,N-dibutylcarbamodithioate; nickel(2+)
OPENEYE Name: nickelous N,N-dibutylcarbamodithioate
IUPAC Name: N,N-dibutylcarbamodithioate; nickel(2+)
SYSTEMATIC NAME: N,N-dibutylcarbamodithioate; nickel(2+)
MOLECULAR FORMULA: C18H36N2NiS4
MOLECULAR WEIGHT: 467.44524
SMILES: CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2]
Structure:
CAS RN: 29947-17-9
CAS Name: 4-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]benzaldehyde
OPENEYE Name: 4-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]benzaldehyde
IUPAC Name: 4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
SYSTEMATIC NAME: 4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
MOLECULAR FORMULA: C11H7NO2S2
MOLECULAR WEIGHT: 249.30878
SMILES: C1=CC(=CC=C1C=C2C(=O)NC(=S)S2)C=O
Structure:
CAS RN: 13083-41-5
CAS Name: 2-(2,3-dihydro-1H-indol-3-yl)acetic acid
OPENEYE Name: 2-indolin-3-ylacetic acid
IUPAC Name: 2-(2,3-dihydro-1H-indol-3-yl)acetic acid
SYSTEMATIC NAME: 2-(2,3-dihydro-1H-indol-3-yl)ethanoic acid
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: C1C(C2=CC=CC=C2N1)CC(=O)O
Structure:
CAS RN: 36918-79-3
CAS Name: 4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
OPENEYE Name: 4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
IUPAC Name: 4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
SYSTEMATIC NAME: 4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
MOLECULAR FORMULA: C9H7N5O3
MOLECULAR WEIGHT: 233.18358
SMILES: C1=CC(=CC=C1C(=O)NC2=NC=NN2)[N+](=O)[O-]
Structure:
CAS RN: 355815-47-3
CAS Name: (4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]ammonium
OPENEYE Name: (4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]ammonium
IUPAC Name: (4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
SYSTEMATIC NAME: (4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
MOLECULAR FORMULA: C15H17FNO+
MOLECULAR WEIGHT: 246.299983
SMILES: COC1=CC=C(C=C1)C[NH2+]CC2=CC=C(C=C2)F
Structure:
CAS RN: 70757-64-1
CAS Name: 2-[4-(2-phenylpropan-2-yl)phenoxy]acetohydrazide
OPENEYE Name: 2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]acetohydrazide
IUPAC Name: 2-[4-(2-phenylpropan-2-yl)phenoxy]acetohydrazide
SYSTEMATIC NAME: 2-[4-(2-phenylpropan-2-yl)phenoxy]ethanehydrazide
MOLECULAR FORMULA: C17H20N2O2
MOLECULAR WEIGHT: 284.3529
SMILES: CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(=O)NN
Structure:
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