CAS RN: 162627-35-2
CAS Name: 1-(2-chloroethyl)-3-(2-naphthalenyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(2-naphthyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-naphthalen-2-ylurea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-naphthalen-2-yl-urea
MOLECULAR FORMULA: C13H13ClN2O
MOLECULAR WEIGHT: 248.70812
SMILES: C1=CC=C2C=C(C=CC2=C1)NC(=O)NCCCl
Structure:
CAS RN: 7271-94-5
CAS Name: 5,7-dimethyl-3-(methylthio)pyrimido[4,5-e][1,2,4]triazine-6,8-dione
OPENEYE Name: 5,7-dimethyl-3-methylsulfanyl-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
IUPAC Name: 5,7-dimethyl-3-methylsulfanylpyrimido[4,5-e][1,2,4]triazine-6,8-dione
SYSTEMATIC NAME: 5,7-dimethyl-3-methylsulfanyl-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
MOLECULAR FORMULA: C8H9N5O2S
MOLECULAR WEIGHT: 239.25436
SMILES: CN1C2=C(C(=O)N(C1=O)C)N=NC(=N2)SC
Structure:
CAS RN: 175204-97-4
CAS Name: 2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-propyl-3-indolyl]acetic acid
OPENEYE Name: 2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-propyl-indol-3-yl]acetic acid
IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-propylindol-3-yl]acetic acid
SYSTEMATIC NAME: 2-[1-[(4-chlorophenyl)methyl]-5-methyl-2-propyl-indol-3-yl]ethanoic acid
MOLECULAR FORMULA: C21H22ClNO2
MOLECULAR WEIGHT: 355.85788
SMILES: CCCC1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)C)CC(=O)O
Structure:
CAS RN: 612-69-1
CAS Name: 4-(4-hydroxy-3,5-dimethoxyphenyl)-2,6-dimethoxyphenol
OPENEYE Name: 4-(4-hydroxy-3,5-dimethoxy-phenyl)-2,6-dimethoxy-phenol
IUPAC Name: 4-(4-hydroxy-3,5-dimethoxyphenyl)-2,6-dimethoxyphenol
SYSTEMATIC NAME: 4-(3,5-dimethoxy-4-oxidanyl-phenyl)-2,6-dimethoxy-phenol
MOLECULAR FORMULA: C16H18O6
MOLECULAR WEIGHT: 306.31052
SMILES: COC1=CC(=CC(=C1O)OC)C2=CC(=C(C(=C2)OC)O)OC
Structure:
CAS RN: 2244-06-6
CAS Name: undecanamide
OPENEYE Name: undecanamide
IUPAC Name: undecanamide
SYSTEMATIC NAME: undecanamide
MOLECULAR FORMULA: C11H23NO
MOLECULAR WEIGHT: 185.30642
SMILES: CCCCCCCCCCC(=O)N
Structure:
CAS RN: 3700-60-5
CAS Name: 1-(4-iodophenyl)-1-propanone
OPENEYE Name: 1-(4-iodophenyl)propan-1-one
IUPAC Name: 1-(4-iodophenyl)propan-1-one
SYSTEMATIC NAME: 1-(4-iodophenyl)propan-1-one
MOLECULAR FORMULA: C9H9IO
MOLECULAR WEIGHT: 260.07163
SMILES: CCC(=O)C1=CC=C(C=C1)I
Structure:
CAS RN: 6703-78-2
CAS Name: 1,3-difluoro-2,4-dinitrobenzene
OPENEYE Name: 1,3-difluoro-2,4-dinitro-benzene
IUPAC Name: 1,3-difluoro-2,4-dinitrobenzene
SYSTEMATIC NAME: 1,3-bis(fluoranyl)-2,4-dinitro-benzene
MOLECULAR FORMULA: C6H2F2N2O4
MOLECULAR WEIGHT: 204.087886
SMILES: C1=CC(=C(C(=C1[N+](=O)[O-])F)[N+](=O)[O-])F
Structure:
CAS RN: 2106-41-4
CAS Name: 1,3-difluoro-2,4-dinitrobenzene
OPENEYE Name: 1,3-difluoro-2,4-dinitro-benzene
IUPAC Name: 1,3-difluoro-2,4-dinitrobenzene
SYSTEMATIC NAME: 1,3-bis(fluoranyl)-2,4-dinitro-benzene
MOLECULAR FORMULA: C6H2F2N2O4
MOLECULAR WEIGHT: 204.087886
SMILES: C1=CC(=C(C(=C1[N+](=O)[O-])F)[N+](=O)[O-])F
Structure:
CAS RN: 31827-94-8
CAS Name: 2-bromo-1-(4-iodophenyl)ethanone
OPENEYE Name: 2-bromo-1-(4-iodophenyl)ethanone
IUPAC Name: 2-bromo-1-(4-iodophenyl)ethanone
SYSTEMATIC NAME: 2-bromanyl-1-(4-iodophenyl)ethanone
MOLECULAR FORMULA: C8H6BrIO
MOLECULAR WEIGHT: 324.94111
SMILES: C1=CC(=CC=C1C(=O)CBr)I
Structure:
CAS RN: 73941-32-9
CAS Name: 9-(3-methylphenyl)-3H-purin-6-one
OPENEYE Name: 9-(m-tolyl)-3H-purin-6-one
IUPAC Name: 9-(3-methylphenyl)-3H-purin-6-one
SYSTEMATIC NAME: 9-(3-methylphenyl)-3H-purin-6-one
MOLECULAR FORMULA: C12H10N4O
MOLECULAR WEIGHT: 226.234
SMILES: CC1=CC(=CC=C1)N2C=NC3=C2NC=NC3=O
Structure:
CAS RN: 116435-38-2
CAS Name: 2-[(triphenylmethyl)amino]acetohydrazide
OPENEYE Name: 2-(tritylamino)acetohydrazide
IUPAC Name: 2-(tritylamino)acetohydrazide
SYSTEMATIC NAME: 2-[(triphenylmethyl)amino]ethanehydrazide
MOLECULAR FORMULA: C21H21N3O
MOLECULAR WEIGHT: 331.41094
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCC(=O)NN
Structure:
CAS RN: 4985-42-6
CAS Name: (2S)-2-amino-N-hydroxy-3-(4-hydroxyphenyl)propanamide
OPENEYE Name: (2S)-2-amino-3-(4-hydroxyphenyl)propanehydroxamic acid
IUPAC Name: (2S)-2-amino-N-hydroxy-3-(4-hydroxyphenyl)propanamide
SYSTEMATIC NAME: (2S)-2-azanyl-3-(4-hydroxyphenyl)-N-oxidanyl-propanamide
MOLECULAR FORMULA: C9H12N2O3
MOLECULAR WEIGHT: 196.20318
SMILES: C1=CC(=CC=C1C[C@@H](C(=O)NO)N)O
Structure:
CAS RN: 6040-48-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC[C@@]34[C@H]2CCC(C3)(C=C4)CO)(C)CO)O
Structure:
CAS RN: 6637-38-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC[C@@]34[C@H]2CCC(C3)(C=C4)CO)(C)CO)O
Structure:
CAS RN: 26535-36-4
CAS Name: 3-(5-methoxy-2,2,8,8-tetramethyl-6-pyrano[2,3-h][1]benzopyranyl)propanoic acid
OPENEYE Name: 3-(5-methoxy-2,2,8,8-tetramethyl-pyrano[2,3-h]chromen-6-yl)propanoic acid
IUPAC Name: 3-(5-methoxy-2,2,8,8-tetramethylpyrano[2,3-h]chromen-6-yl)propanoic acid
SYSTEMATIC NAME: 3-(5-methoxy-2,2,8,8-tetramethyl-pyrano[2,3-h]chromen-6-yl)propanoic acid
MOLECULAR FORMULA: C20H24O5
MOLECULAR WEIGHT: 344.40156
SMILES: CC1(C=CC2=C3C(=C(C(=C2O1)CCC(=O)O)OC)C=CC(O3)(C)C)C
Structure:
CAS RN: 33044-74-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H20O5
MOLECULAR WEIGHT: 328.3591
SMILES: CC1(C2CCC3(C(C2C4=C(O1)C=C5C(=C4O3)C=CC(=O)O5)O)C)C
Structure:
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