CAS RN: 6298-17-5
CAS Name: 4-(7H-purin-6-ylamino)benzoic acid methyl ester
OPENEYE Name: methyl 4-(7H-purin-6-ylamino)benzoate
IUPAC Name: methyl 4-(7H-purin-6-ylamino)benzoate
SYSTEMATIC NAME: methyl 4-(7H-purin-6-ylamino)benzoate
MOLECULAR FORMULA: C13H11N5O2
MOLECULAR WEIGHT: 269.25874
SMILES: COC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2NC=N3
Structure:
CAS RN: 126647-15-2
CAS Name: N-(1-methyl-2-pyrrolidinylidene)-2-(2-sulfanylidene-1-pyrrolidinyl)ethanethioamide
OPENEYE Name: N-(1-methylpyrrolidin-2-ylidene)-2-(2-thioxopyrrolidin-1-yl)thioacetamide
IUPAC Name: N-(1-methylpyrrolidin-2-ylidene)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide
SYSTEMATIC NAME: N-(1-methylpyrrolidin-2-ylidene)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide
MOLECULAR FORMULA: C11H17N3S2
MOLECULAR WEIGHT: 255.40278
SMILES: CN1CCCC1=NC(=S)CN2CCCC2=S
Structure:
CAS RN: 21857-88-5
CAS Name: 2-(3,4-dimethoxyphenyl)ethylthiourea
OPENEYE Name: 2-(3,4-dimethoxyphenyl)ethylthiourea
IUPAC Name: 2-(3,4-dimethoxyphenyl)ethylthiourea
SYSTEMATIC NAME: 1-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
MOLECULAR FORMULA: C11H16N2O2S
MOLECULAR WEIGHT: 240.32194
SMILES: COC1=C(C=C(C=C1)CCNC(=S)N)OC
Structure:
CAS RN: 50365-32-7
CAS Name: 4-(1H-benzimidazol-2-yl)butanoic acid
OPENEYE Name: 4-(1H-benzimidazol-2-yl)butanoic acid
IUPAC Name: 4-(1H-benzimidazol-2-yl)butanoic acid
SYSTEMATIC NAME: 4-(1H-benzimidazol-2-yl)butanoic acid
MOLECULAR FORMULA: C11H12N2O2
MOLECULAR WEIGHT: 204.22518
SMILES: C1=CC=C2C(=C1)NC(=N2)CCCC(=O)O
Structure:
CAS RN: 309283-44-1
CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-cyclopropylethanone
OPENEYE Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-cyclopropyl-ethanone
IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-cyclopropylethanone
SYSTEMATIC NAME: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-cyclopropyl-ethanone
MOLECULAR FORMULA: C7H9N3OS2
MOLECULAR WEIGHT: 215.29586
SMILES: C1CC1C(=O)CSC2=NN=C(S2)N
Structure:
CAS RN: 16502-08-2
CAS Name: 5-(phenylmethyl)-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-benzyl-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-benzyl-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-(phenylmethyl)-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C9H9N3S
MOLECULAR WEIGHT: 191.25286
SMILES: C1=CC=C(C=C1)CC2=NN=C(S2)N
Structure:
CAS RN: 6000-06-2
CAS Name: (3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenyl-2-furanone
OPENEYE Name: (3Z)-3-[(2,4-dimethoxyphenyl)methylene]-5-phenyl-furan-2-one
IUPAC Name: (3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one
SYSTEMATIC NAME: (3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenyl-furan-2-one
MOLECULAR FORMULA: C19H16O4
MOLECULAR WEIGHT: 308.32794
SMILES: COC1=CC(=C(C=C1)/C=C\2/C=C(OC2=O)C3=CC=CC=C3)OC
Structure:
CAS RN: 5560-03-2
CAS Name: 1-[(7-methyl-2-naphthalenyl)sulfonyl]imidazole
OPENEYE Name: 1-[(7-methyl-2-naphthyl)sulfonyl]imidazole
IUPAC Name: 1-(7-methylnaphthalen-2-yl)sulfonylimidazole
SYSTEMATIC NAME: 1-(7-methylnaphthalen-2-yl)sulfonylimidazole
MOLECULAR FORMULA: C14H12N2O2S
MOLECULAR WEIGHT: 272.32228
SMILES: CC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N3C=CN=C3
Structure:
CAS RN: 5272-37-7
CAS Name: 2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
OPENEYE Name: 2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
IUPAC Name: 2-amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
MOLECULAR FORMULA: C16H15N3
MOLECULAR WEIGHT: 249.3104
SMILES: C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC=CC=C3
Structure:
CAS RN: 5270-04-2
CAS Name: 1-[(2-fluorophenyl)methyl]-4-methylpiperazine
OPENEYE Name: 1-[(2-fluorophenyl)methyl]-4-methyl-piperazine
IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-methylpiperazine
SYSTEMATIC NAME: 1-[(2-fluorophenyl)methyl]-4-methyl-piperazine
MOLECULAR FORMULA: C12H17FN2
MOLECULAR WEIGHT: 208.275183
SMILES: CN1CCN(CC1)CC2=CC=CC=C2F
Structure:
CAS RN: 5926-33-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H15NO3
MOLECULAR WEIGHT: 329.3487
SMILES: COC1=CC=CC=C1N2C(=O)C3=C4C(=CC=C5C4=C(CC5)C=C3)C2=O
Structure:
CAS RN: 5269-88-5
CAS Name: 4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine
OPENEYE Name: 4-[(2,4-dimethoxy-3-methyl-phenyl)methyl]thiomorpholine
IUPAC Name: 4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine
SYSTEMATIC NAME: 4-[(2,4-dimethoxy-3-methyl-phenyl)methyl]thiomorpholine
MOLECULAR FORMULA: C14H21NO2S
MOLECULAR WEIGHT: 267.38704
SMILES: CC1=C(C=CC(=C1OC)CN2CCSCC2)OC
Structure:
CAS RN: 88828-47-1
CAS Name: (E)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-phenyl-2-propenamide
OPENEYE Name: (E)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-phenyl-prop-2-enamide
IUPAC Name: (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide
SYSTEMATIC NAME: (E)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C20H19N3O2
MOLECULAR WEIGHT: 333.38376
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C=C/C3=CC=CC=C3
Structure:
CAS RN: 5282-20-2
CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]acetate
IUPAC Name: ethyl 2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanylacetate
SYSTEMATIC NAME: ethyl 2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylethanoate
MOLECULAR FORMULA: C11H10N4O2S
MOLECULAR WEIGHT: 262.2877
SMILES: CCOC(=O)CSC1=C(C=C(C(=N1)N)C#N)C#N
Structure:
CAS RN: 188550-08-5
CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
OPENEYE Name: N-(2,1,3-benzothiadiazol-4-yl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine
IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SYSTEMATIC NAME: N-(2,1,3-benzothiadiazol-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
MOLECULAR FORMULA: C16H13N5S2
MOLECULAR WEIGHT: 339.43792
SMILES: C1CCC2=C(C1)C3=C(N=CN=C3S2)NC4=CC=CC5=NSN=C54
Structure:
CAS RN: 102248-95-3
CAS Name: (2R)-2-[(2,5-dimethyl-7-oxazolo[5,4-d]pyrimidinyl)amino]propanoic acid
OPENEYE Name: (2R)-2-[(2,5-dimethyloxazolo[5,4-d]pyrimidin-7-yl)amino]propanoic acid
IUPAC Name: (2R)-2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]propanoic acid
SYSTEMATIC NAME: (2R)-2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]propanoic acid
MOLECULAR FORMULA: C10H12N4O3
MOLECULAR WEIGHT: 236.22728
SMILES: CC1=NC(=C2C(=N1)OC(=N2)C)N[C@H](C)C(=O)O
Structure:
CAS RN: 102248-96-4
CAS Name: (2S)-2-[(2,5-dimethyl-7-oxazolo[5,4-d]pyrimidinyl)amino]propanoic acid
OPENEYE Name: (2S)-2-[(2,5-dimethyloxazolo[5,4-d]pyrimidin-7-yl)amino]propanoic acid
IUPAC Name: (2S)-2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]propanoic acid
MOLECULAR FORMULA: C10H12N4O3
MOLECULAR WEIGHT: 236.22728
SMILES: CC1=NC(=C2C(=N1)OC(=N2)C)N[C@@H](C)C(=O)O
Structure:
CAS RN: 102248-93-1
CAS Name: (2R)-2-[(2,5-dimethyl-7-oxazolo[5,4-d]pyrimidinyl)amino]-4-methylpentanoic acid
OPENEYE Name: (2R)-2-[(2,5-dimethyloxazolo[5,4-d]pyrimidin-7-yl)amino]-4-methyl-pentanoic acid
IUPAC Name: (2R)-2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]-4-methylpentanoic acid
SYSTEMATIC NAME: (2R)-2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C13H18N4O3
MOLECULAR WEIGHT: 278.30702
SMILES: CC1=NC(=C2C(=N1)OC(=N2)C)N[C@H](CC(C)C)C(=O)O
Structure:
CAS RN: 102248-94-2
CAS Name: (2S)-2-[(2,5-dimethyl-7-oxazolo[5,4-d]pyrimidinyl)amino]-4-methylpentanoic acid
OPENEYE Name: (2S)-2-[(2,5-dimethyloxazolo[5,4-d]pyrimidin-7-yl)amino]-4-methyl-pentanoic acid
IUPAC Name: (2S)-2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]-4-methylpentanoic acid
SYSTEMATIC NAME: (2S)-2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C13H18N4O3
MOLECULAR WEIGHT: 278.30702
SMILES: CC1=NC(=C2C(=N1)OC(=N2)C)N[C@@H](CC(C)C)C(=O)O
Structure:
CAS RN: 122631-40-7
CAS Name: 2-methyl-3-[(E)-2-nitroethenyl]-1H-indole
OPENEYE Name: 2-methyl-3-[(E)-2-nitrovinyl]-1H-indole
IUPAC Name: 2-methyl-3-[(E)-2-nitroethenyl]-1H-indole
SYSTEMATIC NAME: 2-methyl-3-[(E)-2-nitroethenyl]-1H-indole
MOLECULAR FORMULA: C11H10N2O2
MOLECULAR WEIGHT: 202.2093
SMILES: CC1=C(C2=CC=CC=C2N1)/C=C/[N+](=O)[O-]
Structure:
CAS RN: 5344-03-6
CAS Name: 2-(3-aminophenyl)-4-quinolinecarboxylic acid methyl ester
OPENEYE Name: methyl 2-(3-aminophenyl)quinoline-4-carboxylate
IUPAC Name: methyl 2-(3-aminophenyl)quinoline-4-carboxylate
SYSTEMATIC NAME: methyl 2-(3-aminophenyl)quinoline-4-carboxylate
MOLECULAR FORMULA: C17H14N2O2
MOLECULAR WEIGHT: 278.30526
SMILES: COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=CC=C3)N
Structure:
CAS RN: 6038-59-1
CAS Name: 4-[1-[(2-methylphenyl)methyl]-2-benzimidazolyl]-1,2,5-oxadiazol-3-amine
OPENEYE Name: 4-[1-(o-tolylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
IUPAC Name: 4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SYSTEMATIC NAME: 4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
MOLECULAR FORMULA: C17H15N5O
MOLECULAR WEIGHT: 305.3339
SMILES: CC1=CC=CC=C1CN2C3=CC=CC=C3N=C2C4=NON=C4N
Structure:
CAS RN: 181048-49-7
CAS Name: 2-(2-methoxyphenyl)-4-quinolinecarboxylic acid
OPENEYE Name: 2-(2-methoxyphenyl)quinoline-4-carboxylic acid
IUPAC Name: 2-(2-methoxyphenyl)quinoline-4-carboxylic acid
SYSTEMATIC NAME: 2-(2-methoxyphenyl)quinoline-4-carboxylic acid
MOLECULAR FORMULA: C17H13NO3
MOLECULAR WEIGHT: 279.29002
SMILES: COC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)O
Structure:
CAS RN: 63884-76-4
CAS Name: (3Z)-3-[2-(4-bromophenyl)-2-oxoethylidene]-2-piperazinone
OPENEYE Name: (3Z)-3-[2-(4-bromophenyl)-2-oxo-ethylidene]piperazin-2-one
IUPAC Name: (3Z)-3-[2-(4-bromophenyl)-2-oxoethylidene]piperazin-2-one
SYSTEMATIC NAME: (3Z)-3-[2-(4-bromophenyl)-2-oxidanylidene-ethylidene]piperazin-2-one
MOLECULAR FORMULA: C12H11BrN2O2
MOLECULAR WEIGHT: 295.13194
SMILES: C1CNC(=O)/C(=C/C(=O)C2=CC=C(C=C2)Br)/N1
Structure:
CAS RN: 5724-80-1
CAS Name: 5-oxo-5-(1-pyrrolidinyl)pentanoic acid
OPENEYE Name: 5-oxo-5-pyrrolidin-1-yl-pentanoic acid
IUPAC Name: 5-oxo-5-pyrrolidin-1-ylpentanoic acid
SYSTEMATIC NAME: 5-oxidanylidene-5-pyrrolidin-1-yl-pentanoic acid
MOLECULAR FORMULA: C9H15NO3
MOLECULAR WEIGHT: 185.2203
SMILES: C1CCN(C1)C(=O)CCCC(=O)O
Structure:
CAS RN: 436087-10-4
CAS Name: 5-(4-methyl-1-piperidinyl)-5-oxopentanoic acid
OPENEYE Name: 5-(4-methyl-1-piperidyl)-5-oxo-pentanoic acid
IUPAC Name: 5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid
SYSTEMATIC NAME: 5-(4-methylpiperidin-1-yl)-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C11H19NO3
MOLECULAR WEIGHT: 213.27346
SMILES: CC1CCN(CC1)C(=O)CCCC(=O)O
Structure:
CAS RN: 62897-70-5
CAS Name: 2-[[2-(4-morpholinyl)-2-oxoethyl]thio]acetic acid
OPENEYE Name: 2-(2-morpholino-2-oxo-ethyl)sulfanylacetic acid
IUPAC Name: 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetic acid
SYSTEMATIC NAME: 2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylethanoic acid
MOLECULAR FORMULA: C8H13NO4S
MOLECULAR WEIGHT: 219.25812
SMILES: C1COCCN1C(=O)CSCC(=O)O
Structure:
CAS RN: 62770-06-3
CAS Name: 2-[[2-(4-morpholinyl)-2-oxoethyl]thio]acetic acid
OPENEYE Name: 2-(2-morpholino-2-oxo-ethyl)sulfanylacetic acid
IUPAC Name: 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetic acid
SYSTEMATIC NAME: 2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylethanoic acid
MOLECULAR FORMULA: C8H13NO4S
MOLECULAR WEIGHT: 219.25812
SMILES: C1COCCN1C(=O)CSCC(=O)O
Structure:
CAS RN: 337487-15-7
CAS Name: 3-(4-bromophenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-(4-bromophenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(4-bromophenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(4-bromophenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C10H10BrN3S
MOLECULAR WEIGHT: 284.1755
SMILES: CCN1C(=NNC1=S)C2=CC=C(C=C2)Br
Structure:
CAS RN: 5261-57-4
CAS Name: N-[(9-ethyl-3-carbazolyl)methyl]-N,1-dimethyl-4-piperidinamine
OPENEYE Name: N-[(9-ethylcarbazol-3-yl)methyl]-N,1-dimethyl-piperidin-4-amine
IUPAC Name: N-[(9-ethylcarbazol-3-yl)methyl]-N,1-dimethylpiperidin-4-amine
SYSTEMATIC NAME: N-[(9-ethylcarbazol-3-yl)methyl]-N,1-dimethyl-piperidin-4-amine
MOLECULAR FORMULA: C22H29N3
MOLECULAR WEIGHT: 335.48576
SMILES: CCN1C2=C(C=C(C=C2)CN(C)C3CCN(CC3)C)C4=CC=CC=C41
Structure:
CAS RN: 4851-73-4
CAS Name: 1-(2-methylpropyl)-5-(phenylmethyl)-1,3,5-triazinane-2-thione
OPENEYE Name: 5-benzyl-1-isobutyl-1,3,5-triazinane-2-thione
IUPAC Name: 5-benzyl-1-(2-methylpropyl)-1,3,5-triazinane-2-thione
SYSTEMATIC NAME: 1-(2-methylpropyl)-5-(phenylmethyl)-1,3,5-triazinane-2-thione
MOLECULAR FORMULA: C14H21N3S
MOLECULAR WEIGHT: 263.40164
SMILES: CC(C)CN1CN(CNC1=S)CC2=CC=CC=C2
Structure:
CAS RN: 82799-46-0
CAS Name: (4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
OPENEYE Name: (4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
IUPAC Name: (4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
SYSTEMATIC NAME: (4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
MOLECULAR FORMULA: C9H17NO
MOLECULAR WEIGHT: 155.23738
SMILES: C1CC[C@@]2(CCNC[C@@H]2C1)O
Structure:
CAS RN: 208118-13-2
CAS Name: 2-(phenylmethyl)-3H-benzimidazole-5-carboxylic acid
OPENEYE Name: 2-benzyl-3H-benzimidazole-5-carboxylic acid
IUPAC Name: 2-benzyl-3H-benzimidazole-5-carboxylic acid
SYSTEMATIC NAME: 2-(phenylmethyl)-3H-benzimidazole-5-carboxylic acid
MOLECULAR FORMULA: C15H12N2O2
MOLECULAR WEIGHT: 252.26798
SMILES: C1=CC=C(C=C1)CC2=NC3=C(N2)C=C(C=C3)C(=O)O
Structure:
CAS RN: 60285-30-5
CAS Name: 1-[(4-bromophenyl)methyl]-4-(2-pyridinylmethyl)piperazine
OPENEYE Name: 1-[(4-bromophenyl)methyl]-4-(2-pyridylmethyl)piperazine
IUPAC Name: 1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
SYSTEMATIC NAME: 1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
MOLECULAR FORMULA: C17H20BrN3
MOLECULAR WEIGHT: 346.2648
SMILES: C1CN(CCN1CC2=CC=C(C=C2)Br)CC3=CC=CC=N3
Structure:
CAS RN: 39122-38-8
CAS Name: N-(2-pyridinyl)-2-pyridinecarbothioamide
OPENEYE Name: N-(2-pyridyl)pyridine-2-carbothioamide
IUPAC Name: N-pyridin-2-ylpyridine-2-carbothioamide
SYSTEMATIC NAME: N-pyridin-2-ylpyridine-2-carbothioamide
MOLECULAR FORMULA: C11H9N3S
MOLECULAR WEIGHT: 215.27426
SMILES: C1=CC=NC(=C1)C(=S)NC2=CC=CC=N2
Structure:
CAS RN: 60113-45-3
CAS Name: 1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-(4-methoxyphenoxy)ethanone
OPENEYE Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
IUPAC Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
SYSTEMATIC NAME: 1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
MOLECULAR FORMULA: C18H20N2O5
MOLECULAR WEIGHT: 344.3618
SMILES: COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3
Structure:
CAS RN: 1658-97-5
CAS Name: 4-acetyl-N,N-diethylbenzenesulfonamide
OPENEYE Name: 4-acetyl-N,N-diethyl-benzenesulfonamide
IUPAC Name: 4-acetyl-N,N-diethylbenzenesulfonamide
SYSTEMATIC NAME: 4-ethanoyl-N,N-diethyl-benzenesulfonamide
MOLECULAR FORMULA: C12H17NO3S
MOLECULAR WEIGHT: 255.33328
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)C
Structure:
CAS RN: 55738-20-0
CAS Name: 1,3,6-trimethyl-5-nitropyrimidine-2,4-dione
OPENEYE Name: 1,3,6-trimethyl-5-nitro-pyrimidine-2,4-dione
IUPAC Name: 1,3,6-trimethyl-5-nitropyrimidine-2,4-dione
SYSTEMATIC NAME: 1,3,6-trimethyl-5-nitro-pyrimidine-2,4-dione
MOLECULAR FORMULA: C7H9N3O4
MOLECULAR WEIGHT: 199.16406
SMILES: CC1=C(C(=O)N(C(=O)N1C)C)[N+](=O)[O-]
Structure:
CAS RN: 59214-63-0
CAS Name: 1-[4-(1-piperidinylsulfonyl)phenyl]ethanone
OPENEYE Name: 1-[4-(1-piperidylsulfonyl)phenyl]ethanone
IUPAC Name: 1-(4-piperidin-1-ylsulfonylphenyl)ethanone
SYSTEMATIC NAME: 1-(4-piperidin-1-ylsulfonylphenyl)ethanone
MOLECULAR FORMULA: C13H17NO3S
MOLECULAR WEIGHT: 267.34398
SMILES: CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2
Structure:
CAS RN: 34576-92-6
CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid
OPENEYE Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid
IUPAC Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid
SYSTEMATIC NAME: 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylic acid
MOLECULAR FORMULA: C9H4ClFO2S
MOLECULAR WEIGHT: 230.643263
SMILES: C1=CC2=C(C=C1F)SC(=C2Cl)C(=O)O
Structure:
No comments:
Post a Comment