CAS RN: 29493-38-7
CAS Name: 4-methylbenzenesulfonic acid [4-(phenylmethoxycarbonylamino)cyclohexyl] ester
OPENEYE Name: [4-(benzyloxycarbonylamino)cyclohexyl] 4-methylbenzenesulfonate
IUPAC Name: [4-(phenylmethoxycarbonylamino)cyclohexyl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [4-(phenylmethoxycarbonylamino)cyclohexyl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C21H25NO5S
MOLECULAR WEIGHT: 403.4919
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(CC2)NC(=O)OCC3=CC=CC=C3
Structure:
CAS RN: 435342-24-8
CAS Name: 2-[(6-methyl-4-quinazolinyl)amino]acetate
OPENEYE Name: 2-[(6-methylquinazolin-4-yl)amino]acetate
IUPAC Name: 2-[(6-methylquinazolin-4-yl)amino]acetate
SYSTEMATIC NAME: 2-[(6-methylquinazolin-4-yl)amino]ethanoate
MOLECULAR FORMULA: C11H10N3O2-
MOLECULAR WEIGHT: 216.216
SMILES: CC1=CC2=C(C=C1)N=CN=C2NCC(=O)[O-]
Structure:
CAS RN: 66947-88-4
CAS Name: 2-chloro-N-(2-iodophenyl)acetamide
OPENEYE Name: 2-chloro-N-(2-iodophenyl)acetamide
IUPAC Name: 2-chloro-N-(2-iodophenyl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(2-iodanylphenyl)ethanamide
MOLECULAR FORMULA: C8H7ClINO
MOLECULAR WEIGHT: 295.50475
SMILES: C1=CC=C(C(=C1)NC(=O)CCl)I
Structure:
CAS RN: 53554-46-4
CAS Name: 6-heptyl-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 6-heptyl-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 6-heptyl-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-heptyl-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C11H18N2OS
MOLECULAR WEIGHT: 226.33842
SMILES: CCCCCCCC1=CC(=O)NC(=S)N1
Structure:
CAS RN: 55362-75-9
CAS Name: 2-(2-furanyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid
OPENEYE Name: 2-(tert-butoxycarbonylamino)-2-(2-furyl)acetic acid
IUPAC Name: 2-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SYSTEMATIC NAME: 2-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoic acid
MOLECULAR FORMULA: C11H15NO5
MOLECULAR WEIGHT: 241.2405
SMILES: CC(C)(C)OC(=O)NC(C1=CC=CO1)C(=O)O
Structure:
CAS RN: 88878-74-4
CAS Name: 5-[[1-[[1-[[2-[[6-amino-1-[[1-[[1-[[2-[[2-[[1-[[1-carboxy-3-(methylthio)propyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-ox
OPENEYE Name: 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-5-[[1-[[1-[[2-[[5-amino-1-[[1-[[2-[[2-[[2-[[1-benzyl-2-[(1-carboxy-3-methylsulfanyl-propyl)amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-4-guani
IUPAC Name: 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-5-[[1-[[1-[[2-[[6-amino-1-[[1-[[1-[[2-[[2-[[1-[(1-carboxy-3-methylsulfanylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminome
SYSTEMATIC NAME: 5-[[1-[[1-[[2-[[6-azanyl-1-[[5-[bis(azanyl)methylideneamino]-1-[[3-(4-hydroxyphenyl)-1-[[2-[[2-[[1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-eth
MOLECULAR FORMULA: C61H95N17O17S
MOLECULAR WEIGHT: 1370.5757
SMILES: CC(C)CC(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCSC)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)CN
Structure:
CAS RN: 4318-46-1
CAS Name: 3-methyl-N,4-diphenyl-1-piperazinecarbothioamide
OPENEYE Name: 3-methyl-N,4-diphenyl-piperazine-1-carbothioamide
IUPAC Name: 3-methyl-N,4-diphenylpiperazine-1-carbothioamide
SYSTEMATIC NAME: 3-methyl-N,4-diphenyl-piperazine-1-carbothioamide
MOLECULAR FORMULA: C18H21N3S
MOLECULAR WEIGHT: 311.44444
SMILES: CC1CN(CCN1C2=CC=CC=C2)C(=S)NC3=CC=CC=C3
Structure:
CAS RN: 59189-98-9
CAS Name: 2-fluoro-4-methylbenzoyl chloride
OPENEYE Name: 2-fluoro-4-methyl-benzoyl chloride
IUPAC Name: 2-fluoro-4-methylbenzoyl chloride
SYSTEMATIC NAME: 2-fluoranyl-4-methyl-benzoyl chloride
MOLECULAR FORMULA: C8H6ClFO
MOLECULAR WEIGHT: 172.584043
SMILES: CC1=CC(=C(C=C1)C(=O)Cl)F
Structure:
CAS RN: 114590-73-7
CAS Name: 1-(3-propan-2-yloxyphenyl)ethanone
OPENEYE Name: 1-(3-isopropoxyphenyl)ethanone
IUPAC Name: 1-(3-propan-2-yloxyphenyl)ethanone
SYSTEMATIC NAME: 1-(3-propan-2-yloxyphenyl)ethanone
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC(C)OC1=CC=CC(=C1)C(=O)C
Structure:
CAS RN: 121704-77-6
CAS Name: 1-(3-propoxyphenyl)ethanone
OPENEYE Name: 1-(3-propoxyphenyl)ethanone
IUPAC Name: 1-(3-propoxyphenyl)ethanone
SYSTEMATIC NAME: 1-(3-propoxyphenyl)ethanone
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CCCOC1=CC=CC(=C1)C(=O)C
Structure:
CAS RN: 91367-97-4
CAS Name: 2-(phenylmethylthio)-7H-purine
OPENEYE Name: 2-benzylsulfanyl-7H-purine
IUPAC Name: 2-benzylsulfanyl-7H-purine
SYSTEMATIC NAME: 2-(phenylmethylsulfanyl)-7H-purine
MOLECULAR FORMULA: C12H10N4S
MOLECULAR WEIGHT: 242.2996
SMILES: C1=CC=C(C=C1)CSC2=NC=C3C(=N2)N=CN3
Structure:
CAS RN: 6144-36-1
CAS Name: 5-methyl-1,3,4-thiadiazol-3-ium-2,3-diamine
OPENEYE Name: 5-methyl-1,3,4-thiadiazol-3-ium-2,3-diamine
IUPAC Name: 5-methyl-1,3,4-thiadiazol-3-ium-2,3-diamine
SYSTEMATIC NAME: 5-methyl-1,3,4-thiadiazol-3-ium-2,3-diamine
MOLECULAR FORMULA: C3H7N4S+
MOLECULAR WEIGHT: 131.17948
SMILES: CC1=N[N+](=C(S1)N)N
Structure:
CAS RN: 53344-74-4
CAS Name: 2-chloro-4-(2-chloro-4-pyridinyl)pyridine
OPENEYE Name: 2-chloro-4-(2-chloro-4-pyridyl)pyridine
IUPAC Name: 2-chloro-4-(2-chloropyridin-4-yl)pyridine
SYSTEMATIC NAME: 2-chloranyl-4-(2-chloranylpyridin-4-yl)pyridine
MOLECULAR FORMULA: C10H6Cl2N2
MOLECULAR WEIGHT: 225.07404
SMILES: C1=CN=C(C=C1C2=CC(=NC=C2)Cl)Cl
Structure:
CAS RN: 129564-34-7
CAS Name: 2-(2,6-dichlorophenyl)acetohydrazide
OPENEYE Name: 2-(2,6-dichlorophenyl)acetohydrazide
IUPAC Name: 2-(2,6-dichlorophenyl)acetohydrazide
SYSTEMATIC NAME: 2-[2,6-bis(chloranyl)phenyl]ethanehydrazide
MOLECULAR FORMULA: C8H8Cl2N2O
MOLECULAR WEIGHT: 219.06792
SMILES: C1=CC(=C(C(=C1)Cl)CC(=O)NN)Cl
Structure:
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